User contributions for Khtang

21:1921:19, 22 April 2024 diff hist +3‎ Zfs ‎ →‎Example: Fixing degraded pool, replacing faulted disk current
21:1321:13, 22 April 2024 diff hist +35‎ Zfs ‎ →‎Example: Fixing degraded pool, replacing faulted disk
21:1121:11, 22 April 2024 diff hist +141‎ Zfs ‎ →‎Example: Fixing degraded pool, replacing faulted disk

20:2720:27, 22 March 2024 diff hist −110‎ Slurm Installation Guide ‎No edit summary current
19:1019:10, 22 March 2024 diff hist +32‎ LoadingZINC21 ‎No edit summary current

21:5321:53, 18 March 2024 diff hist +1,079‎ N Renew Schrodinger Licenses ‎ Created page with "'''<big>Cluster 0 and 2 licenses are expired on March 15th annually. </br> Contact licensing@schrodinger.com (CC John and Brian) and tell them that you are from Shoichet Lab and would like to renew TWO licenses. They will send the Cluster 0 license to John and Cluster 2 license to Brian</big>''' === Get License File === Get the email about Schrodinger license keys ready for retrieval from John or Brian.</br> Click the link that said '''please user this form to generate..." current
19:0719:07, 18 March 2024 diff hist −48‎ Schrodinger ‎ →‎Get a License File: current

22:2822:28, 15 February 2024 diff hist +1‎ Schrodinger ‎ →‎Get a License File:
22:2322:23, 15 February 2024 diff hist +1‎ Schrodinger ‎No edit summary
22:2222:22, 15 February 2024 diff hist −21‎ Schrodinger ‎ →‎Get a License File:
22:2222:22, 15 February 2024 diff hist +4‎ Schrodinger ‎ →‎Get a License File:
22:2022:20, 15 February 2024 diff hist +25‎ N Schrodinger notes ‎ Khtang moved page Schrodinger notes to Schrodinger current Tag: New redirect
22:2022:20, 15 February 2024 diff hist 0‎ m Schrodinger ‎ Khtang moved page Schrodinger notes to Schrodinger

21:1621:16, 13 February 2024 diff hist +21‎ MediaWiki:Sidebar ‎No edit summary current
21:1121:11, 13 February 2024 diff hist +337‎ N MediaWiki:Sidebar ‎ Created page with " * navigation ** [https://calendar.google.com/calendar/u/6/embed?src=90hc5i060oggekk2s3c8sluf4g@group.calendar.google.com&pvttk=b015223b9cc576dce92e6cc7698935cd&csspa=1 BKS Calendar] ** mainpage|mainpage-description ** recentchanges-url|recentchanges ** randompage-url|randompage ** helppage|help-mediawiki * SEARCH * TOOLBOX * LANGUAGES"

19:5519:55, 8 February 2024 diff hist 0‎ FEP+ for GPCR ‎No edit summary current

19:4519:45, 22 November 2023 diff hist +292‎ Nm User talk:Bks.labmanager ‎ Welcome! current
19:4519:45, 22 November 2023 diff hist +44‎ Nm User:Bks.labmanager ‎ Creating user page for new user. current

19:5519:55, 21 September 2023 diff hist +22‎ Chemistry commons Notes ‎No edit summary

20:5720:57, 20 September 2023 diff hist +1,098‎ N Chemistry commons Notes ‎ Created page with "== Database Management == Source chemistry commons source /nfs/soft/anaconda3/bin/activate ~khtang/.conda/envs/chemcommons === Import data from Spreadsheet === ** This will be deprecated once we switched to use postgres bash /nfs/home/khtang/work/gitlab/ChemistryCommons-2-0/CC_load_scripts/load_common.bash import mem2 [Reactions_Reference_Spreadsheet.xlsx] === Export Chemistry Commons DB === Run this script to create a snapshot of the database and JSON files for Enum..."
19:1819:18, 20 September 2023 diff hist +48‎ Chemistry commons ‎No edit summary current

21:1921:19, 22 June 2023 diff hist +215‎ Build ChEMBL for SEA ‎ →‎Setting up Postgres current

22:2922:29, 12 May 2023 diff hist −2‎ Schrodinger ‎ →‎Installing Schrodinger 2019 on Cluster 2
22:2922:29, 12 May 2023 diff hist +326‎ Schrodinger ‎ →‎Installing Schrodinger 2019 on Cluster 2

19:3019:30, 27 April 2023 diff hist −10‎ Properties ‎No edit summary current
18:3818:38, 27 April 2023 diff hist +41‎ Properties ‎ →‎RDKit
18:3818:38, 27 April 2023 diff hist +85‎ Properties ‎No edit summary
18:2618:26, 27 April 2023 diff hist +687‎ Properties ‎No edit summary

20:0020:00, 29 March 2023 diff hist +18‎ LUNA ‎No edit summary current

19:4219:42, 28 March 2023 diff hist −9‎ LUNA ‎ →‎Install Instruction

22:3622:36, 13 March 2023 diff hist 0‎ LUNA ‎ →‎Usage
22:3222:32, 13 March 2023 diff hist +551‎ N LUNA ‎ Created page with "'''LUNA''' is drug discovery Python toolkit developed by Keiser Lab at UCSF Github repo https://github.com/keiserlab/LUNA == Install Instruction == If you have trouble following LUNA's conda environment setup instruction, try this conda create -n luna-env -c schrodinger pymol -y conda activate luna-env conda install -c conda-forge rdkit seaborn openbabel pip xopen colorlog networkx -y pip install mmh3==2.5.1 pip install biopython==1.72 BKS Cluster has LUNA conda..."

23:0623:06, 7 February 2023 diff hist +96‎ Slurm ‎No edit summary current

22:3722:37, 2 December 2022 diff hist +31‎ LoadingZINC21 ‎ →‎Load 2d
17:0817:08, 2 December 2022 diff hist +926‎ LoadingZINC21 ‎ →‎Load 2d

00:4900:49, 9 November 2022 diff hist −2‎ Slurm Installation Guide ‎ →‎[Centos/RHEL] Build RPMS
00:4100:41, 9 November 2022 diff hist +12‎ Slurm Installation Guide ‎ →‎Other directories
00:2300:23, 9 November 2022 diff hist +1‎ Slurm Installation Guide ‎ →‎[Centos/RHEL] Build RPMS
00:2000:20, 9 November 2022 diff hist +126‎ Slurm Installation Guide ‎ →‎Slurm.conf
00:1800:18, 9 November 2022 diff hist −1‎ Slurm Installation Guide ‎ →‎Install prerequisite packages
00:1800:18, 9 November 2022 diff hist +137‎ Slurm Installation Guide ‎ →‎Install Slurm
00:1400:14, 9 November 2022 diff hist +40‎ Slurm Installation Guide ‎ →‎Install the latest epel-release

06:4606:46, 8 November 2022 diff hist +59‎ Slurm Installation Guide ‎ →‎Install prerequisite packages
06:4306:43, 8 November 2022 diff hist +355‎ Slurm Installation Guide ‎ →‎Install prerequisite packages
06:2406:24, 8 November 2022 diff hist +16‎ Slurm Installation Guide ‎ →‎Slurm.conf
06:2206:22, 8 November 2022 diff hist +71‎ Slurm Installation Guide ‎ →‎Slurmd
01:5601:56, 8 November 2022 diff hist +12‎ Slurm Installation Guide ‎ →‎Setup directories
01:4301:43, 8 November 2022 diff hist −2‎ Slurm Installation Guide ‎ →‎Build RPMS
00:5100:51, 8 November 2022 diff hist +23‎ Slurm Installation Guide ‎ →‎Install prerequisite packages
00:3600:36, 8 November 2022 diff hist −29‎ Slurm Installation Guide ‎ →‎Install prerequisite packages
00:2600:26, 8 November 2022 diff hist +12‎ Slurm Installation Guide ‎ →‎Install prerequisite packages
00:2100:21, 8 November 2022 diff hist +1‎ Slurm Installation Guide ‎ →‎Build RPMS
00:1100:11, 8 November 2022 diff hist +27‎ Slurm Installation Guide ‎ →‎Set ownership and permission to following directories

18:4518:45, 4 November 2022 diff hist +904‎ Slurm Installation Guide ‎ →‎Slurmd
18:3518:35, 4 November 2022 diff hist +266‎ Slurm Installation Guide ‎No edit summary
18:3118:31, 4 November 2022 diff hist +9‎ Slurm Installation Guide ‎ →‎Test
18:3018:30, 4 November 2022 diff hist +3,242‎ Slurm Installation Guide ‎No edit summary
17:4917:49, 4 November 2022 diff hist +1‎ Slurm Installation Guide ‎ →‎Install prerequisite packages
07:0307:03, 4 November 2022 diff hist +803‎ Slurm Installation Guide ‎No edit summary
06:4006:40, 4 November 2022 diff hist +1,017‎ Slurm Installation Guide ‎No edit summary
06:1806:18, 4 November 2022 diff hist +977‎ N Slurm Installation Guide ‎ Created page with "This page will show you how to setup and configure a Slurm queueing system. Useful link: https://wiki.fysik.dtu.dk/Niflheim_system/Slurm_installation/ == Pre-installation ==..."

19:4319:43, 28 October 2022 diff hist +673‎ Slurm ‎ →‎GPUs specification

20:4120:41, 11 October 2022 diff hist −1‎ Manage Lab Websites ‎ →‎ZINC15
20:4120:41, 11 October 2022 diff hist −1‎ Manage Lab Websites ‎ →‎ZINC20
20:4020:40, 11 October 2022 diff hist −1‎ Manage Lab Websites ‎ →‎Transportal

20:2320:23, 7 October 2022 diff hist +12‎ FastROCS ‎ →‎2. Run search current
20:2220:22, 7 October 2022 diff hist +232‎ FastROCS ‎ →‎2. Run search
19:5819:58, 7 October 2022 diff hist +1‎ FastROCS ‎ →‎2. Run search

01:1001:10, 1 October 2022 diff hist +18‎ Schrodinger ‎ →‎Debugging:

07:4907:49, 23 September 2022 diff hist −34‎ m Generating decoys (Reed's way) ‎ Reverted edits by Jklyu (talk) to last revision by Fliu current Tag: Rollback

22:3922:39, 1 September 2022 diff hist +292‎ Nm User talk:Omailhot ‎ Welcome! current
22:3922:39, 1 September 2022 diff hist +86‎ Nm User:Omailhot ‎ Creating user page for new user. current

20:3620:36, 31 August 2022 diff hist −1‎ Tunnel how to ‎No edit summary current

02:3902:39, 20 August 2022 diff hist +384‎ Schrodinger ‎ →‎Troubleshooting

18:1618:16, 18 August 2022 diff hist +2‎ Ssh tunnel (Trent's way) ‎No edit summary current

22:2922:29, 9 August 2022 diff hist +61‎ Zfs ‎ →‎Identify failed disk by LED light
05:2905:29, 9 August 2022 diff hist 0‎ m TLDR:swbatch ‎ Khtang moved page TLDR:Swbatch to TLDR:swbatch without leaving a redirect current
05:2905:29, 9 August 2022 diff hist 0‎ m TLDR:strain ‎ Khtang moved page TLDR:Strain to TLDR:strain without leaving a redirect current
05:2905:29, 9 August 2022 diff hist 0‎ m TLDR:newbuild3d ‎ Khtang moved page TLDR:Newbuild3d to TLDR:newbuild3d without leaving a redirect current
05:2905:29, 9 August 2022 diff hist 0‎ m TLDR:extrema ‎ Khtang moved page TLDR:Extrema to TLDR:extrema without leaving a redirect current
05:2805:28, 9 August 2022 diff hist 0‎ m TLDR:decoygen ‎ Khtang moved page TLDR:DUDE-Z to TLDR:dude-z without leaving a redirect
05:2805:28, 9 August 2022 diff hist +29‎ N TLDR:Bootstrap2 ‎ Khtang moved page TLDR:Bootstrap2 to TLDR:bootstrap2 current Tag: New redirect
05:2805:28, 9 August 2022 diff hist 0‎ m TLDR:bootstrap2 ‎ Khtang moved page TLDR:Bootstrap2 to TLDR:bootstrap2 current
05:2805:28, 9 August 2022 diff hist 0‎ m TLDR:bootstrap1 ‎ Khtang moved page TLDR:Bootstrap1 to TLDR:bootstrap1 without leaving a redirect current
05:2705:27, 9 August 2022 diff hist 0‎ m TLDR:bioisostere ‎ Khtang moved page TLDR:Bioisostere to TLDR:bioisostere without leaving a redirect current
05:2705:27, 9 August 2022 diff hist 0‎ TLDR ‎ →‎Current available modules
05:2605:26, 9 August 2022 diff hist 0‎ TLDR ‎ →‎Bootstrap1
05:2605:26, 9 August 2022 diff hist 0‎ TLDR ‎ →‎Bioisostere
05:2605:26, 9 August 2022 diff hist 0‎ TLDR ‎ →‎Arthorbatch
05:2605:26, 9 August 2022 diff hist 0‎ m TLDR:arthorbatch ‎ Khtang moved page TLDR:Arthorbatch to TLDR:arthorbatch without leaving a redirect current

06:1506:15, 8 August 2022 diff hist +155‎ N TLDR:swbatch ‎ Created page with "== Purpose == Running multiple queries on SmallWorld. See https://sw.docking.org/search.html == Inputs == * molecules.ism == Outputs == TBD == Notes == TBD"
06:1406:14, 8 August 2022 diff hist −39‎ TLDR ‎ →‎SWbatch
06:1206:12, 8 August 2022 diff hist +275‎ N TLDR:newbuild3d ‎ Created page with "== Purpose == Prepare a 3D library for docking with '''DOCK3.8''' pipeline in several formats used by popular docking programs: sdf, db2, mol2, pdbqt, solv == Inputs == * mol..."
05:4805:48, 8 August 2022 diff hist −95‎ TLDR ‎ →‎Newbuild3D
05:3705:37, 8 August 2022 diff hist +387‎ N TLDR:extrema ‎ Created page with "== Purpose == Generate an equivalent number of charged (-2, -1, 0, +1, +2) molecules in the molecular weight and cLogP property space of your input SMILES molecules. These cha..."
05:3305:33, 8 August 2022 diff hist −261‎ TLDR ‎ →‎Extrema
05:3205:32, 8 August 2022 diff hist +170‎ N TLDR:bootstrap2 ‎ Created page with "== Purpose == Get 95% confidence interval from bootstrapping. == Inputs == * decoys.name * ligands.name * ranked_list_1 * ranked_list_2 == Outputs == TBD == Notes == TBD"
05:3105:31, 8 August 2022 diff hist −27‎ TLDR ‎ →‎Bootstrap2
05:3105:31, 8 August 2022 diff hist −34‎ TLDR ‎ →‎Bootstrap1
05:3005:30, 8 August 2022 diff hist +176‎ N TLDR:bootstrap1 ‎ Created page with "== Purpose == Compare performance of 2 docking methods with p value == Inputs == * decoys.name * ligands.name * ranked_list_1 * ranked_list_2 == Outputs == TBD == Notes == TBD"
05:2105:21, 8 August 2022 diff hist −123‎ TLDR ‎ →‎Strain
05:2005:20, 8 August 2022 diff hist +409‎ N TLDR:strain ‎ Created page with "== Purpose == This strain filter software is a fast and reliable approach to calculate the strain energy of millions of small molecules. == Inputs == * mol2 file contains mole..."
05:0605:06, 8 August 2022 diff hist −660‎ TLDR ‎ →‎DUDE-Z
05:0105:01, 8 August 2022 diff hist +12‎ TLDR ‎ →‎TLDR:Bioisostere
05:0005:00, 8 August 2022 diff hist +12‎ TLDR ‎ →‎TLDR:Arthorbatch
05:0005:00, 8 August 2022 diff hist −1,121‎ TLDR ‎ →‎TLDR:Bioisostere
04:5904:59, 8 August 2022 diff hist +385‎ TLDR:bioisostere ‎No edit summary
04:5904:59, 8 August 2022 diff hist −9‎ TLDR ‎ →‎Bioisostere (formerly Analog)
04:5904:59, 8 August 2022 diff hist −117‎ TLDR ‎ →‎Arthorbatch
04:5504:55, 8 August 2022 diff hist +771‎ N TLDR:decoygen ‎ Created page with "== Purpose == Assemble decoys for docking using the DUDEZ approach. See https://dudez.docking.org for sample data == Inputs == * Ligands provided in smiles format (actives.sm..."
04:4704:47, 8 August 2022 diff hist +48‎ TLDR:bioisostere ‎No edit summary
04:4504:45, 8 August 2022 diff hist +501‎ N TLDR:bioisostere ‎ Created page with "== Purpose == To find analogs of your active compounds that you can use to explore SAR by catalogs around your hits. == Inputs == * a starting molecule in txt file (one at a..."

17:5317:53, 5 August 2022 diff hist +289‎ Nm User talk:Jocastanon ‎ Welcome! current
17:5317:53, 5 August 2022 diff hist +65‎ Nm User:Jocastanon ‎ Creating user page for new user. current

22:0122:01, 4 August 2022 diff hist +101‎ Dimorphite-DL ‎ →‎Run it current
21:5721:57, 4 August 2022 diff hist −41‎ Dimorphite-DL ‎ →‎For BKS Cluster users
21:5721:57, 4 August 2022 diff hist +15‎ Dimorphite-DL ‎ →‎Installation
21:5621:56, 4 August 2022 diff hist +1‎ Dimorphite-DL ‎ →‎Installation
21:5521:55, 4 August 2022 diff hist +1‎ Dimorphite-DL ‎ →‎Run it
21:5421:54, 4 August 2022 diff hist +1,737‎ N Dimorphite-DL ‎ Created page with "'''Dimorphite-DL is an open-source software for enumerating ionization states of molecules created by [https://durrantlab.pitt.edu/ Durrant Lab] at University of Pittsburgh.''..."

23:0323:03, 25 July 2022 diff hist 0‎ Category:SEA ‎ →‎Target vs Targets current
23:0223:02, 25 July 2022 diff hist +51‎ Category:SEA ‎ →‎Target vs Targets
23:0123:01, 25 July 2022 diff hist −1‎ Category:SEA ‎ →‎Compounds vs Targets
23:0123:01, 25 July 2022 diff hist 0‎ Category:SEA ‎ →‎Compounds vs Library screen
23:0123:01, 25 July 2022 diff hist +54‎ Category:SEA ‎ →‎Compounds vs Library screen
22:5722:57, 25 July 2022 diff hist 0‎ Category:SEA ‎ →‎Compound vs Library screen
22:5622:56, 25 July 2022 diff hist +8‎ Category:SEA ‎ →‎Compound vs Library screen
22:5622:56, 25 July 2022 diff hist +46‎ Category:SEA ‎ →‎Compounds vs Targets
22:5222:52, 25 July 2022 diff hist 0‎ N File:Target vs target.png ‎No edit summary current
22:5122:51, 25 July 2022 diff hist 0‎ N File:Compound vs target.png ‎No edit summary current
22:5122:51, 25 July 2022 diff hist 0‎ N File:Compound vs library.png ‎No edit summary current
22:2722:27, 25 July 2022 diff hist +2,955‎ Category:SEA ‎ →‎Using the SEA website

03:0303:03, 8 July 2022 diff hist +260‎ Set up a Server ‎ →‎GPU current
02:5402:54, 8 July 2022 diff hist −1‎ Set up a Server ‎ →‎Test Nvidia driver
02:5402:54, 8 July 2022 diff hist +462‎ Set up a Server ‎ →‎Install CUDA and Nvidia Driver
02:4702:47, 8 July 2022 diff hist +21‎ Set up a Server ‎ →‎Install CUDA and Nvidia Driver
02:4602:46, 8 July 2022 diff hist +1,463‎ Set up a Server ‎ →‎= Rock Linux
02:4602:46, 8 July 2022 diff hist +467‎ Set up a Server ‎ →‎GPU
02:3502:35, 8 July 2022 diff hist −2‎ Set up a Server ‎ →‎Troubleshooting
02:3502:35, 8 July 2022 diff hist +2,101‎ Set up a Server ‎ →‎Testing puppet
02:3402:34, 8 July 2022 diff hist −2,094‎ Set up a Server ‎ →‎Troubleshooting
02:3302:33, 8 July 2022 diff hist −2‎ Set up a Server ‎ →‎GPU
02:3202:32, 8 July 2022 diff hist +247‎ Set up a Server ‎ →‎Install Puppet and Create Puppet Certificate
02:2302:23, 8 July 2022 diff hist −1‎ Set up a Server ‎ →‎Install Puppet and Create Puppet Certificate
02:1302:13, 8 July 2022 diff hist −16‎ Set up a Server ‎No edit summary
02:1102:11, 8 July 2022 diff hist +37‎ Set up a Server ‎ →‎Change Boot Order
02:1002:10, 8 July 2022 diff hist +180‎ Set up a Server ‎No edit summary

17:2417:24, 21 June 2022 diff hist +6‎ How to use SmallWorld API ‎No edit summary

21:1721:17, 8 June 2022 diff hist +412‎ PyMol ‎No edit summary current
21:1621:16, 8 June 2022 diff hist +44‎ Schrodinger ‎No edit summary
21:1521:15, 8 June 2022 diff hist +257‎ Schrodinger ‎ →‎PyMol
21:1121:11, 8 June 2022 diff hist +163‎ Schrodinger ‎No edit summary

22:3622:36, 27 May 2022 diff hist −1‎ Manage Lab Websites ‎ →‎ZINC20 =
22:3622:36, 27 May 2022 diff hist +96‎ Manage Lab Websites ‎ →‎For websites running on Supervisord
22:2122:21, 27 May 2022 diff hist +555‎ Manage Lab Websites ‎No edit summary
17:5317:53, 27 May 2022 diff hist −268‎ Manage Lab Websites ‎ →‎For websites running on Screen
17:5217:52, 27 May 2022 diff hist 0‎ Manage Lab Websites ‎ →‎List of Websites
17:5117:51, 27 May 2022 diff hist +4‎ Manage Lab Websites ‎ →‎List of Websites
17:4817:48, 27 May 2022 diff hist +62‎ Manage Lab Websites ‎ →‎SEA
17:4717:47, 27 May 2022 diff hist +6‎ Manage Lab Websites ‎ →‎Restart application
17:4617:46, 27 May 2022 diff hist 0‎ Manage Lab Websites ‎ →‎Restart application =
17:4617:46, 27 May 2022 diff hist +170‎ Manage Lab Websites ‎ →‎Transportal

17:4817:48, 24 May 2022 diff hist +22‎ Slurm ‎ →‎Migrating to gimel5
17:3117:31, 24 May 2022 diff hist −1‎ Gpus ‎ →‎Update CUDA 11 and Nvidia-driver
17:3017:30, 24 May 2022 diff hist +540‎ Gpus ‎ →‎Update CUDA 11 and Nvidia-driver

00:0000:00, 19 May 2022 diff hist +228‎ TLDR ‎No edit summary

23:5123:51, 18 May 2022 diff hist +636‎ TLDR ‎ →‎Current available modules
21:0121:01, 18 May 2022 diff hist 0‎ TLDR ‎No edit summary
20:5720:57, 18 May 2022 diff hist +26‎ TLDR ‎No edit summary
20:5520:55, 18 May 2022 diff hist −12‎ TLDR ‎No edit summary

18:2018:20, 17 May 2022 diff hist +738‎ Replacing failed disk on Server ‎No edit summary current

22:4122:41, 13 May 2022 diff hist +45‎ 2dload ‎No edit summary current

18:0418:04, 2 May 2022 diff hist +2‎ Add Tools18 module ‎No edit summary
18:0318:03, 2 May 2022 diff hist −11‎ Add Tools18 module ‎ →‎Setting up templates

22:2722:27, 21 April 2022 diff hist +18‎ Gpus ‎ →‎When encountering kernel errors for Nvidia
21:5821:58, 21 April 2022 diff hist +3‎ Gpus ‎ →‎Update CUDA 11 and Nvidia-driver
21:5721:57, 21 April 2022 diff hist +430‎ Gpus ‎No edit summary

17:3917:39, 18 April 2022 diff hist +36‎ TLDR ‎No edit summary

22:5622:56, 12 April 2022 diff hist +130‎ Chemspace API ‎No edit summary current
22:5322:53, 12 April 2022 diff hist +54‎ Chemspace API ‎ →‎Search
22:5222:52, 12 April 2022 diff hist +45‎ Chemspace API ‎ →‎By Exact Smiles
22:5022:50, 12 April 2022 diff hist +537‎ Chemspace API ‎No edit summary
22:4822:48, 12 April 2022 diff hist +9‎ Chemspace API ‎ →‎By Similarity
22:4722:47, 12 April 2022 diff hist +261‎ Chemspace API ‎ →‎By Similarity
22:4622:46, 12 April 2022 diff hist −4,869‎ Chemspace API ‎ →‎By Exact Smiles
22:4522:45, 12 April 2022 diff hist +6,425‎ N Chemspace API ‎ Created page with "This is a quick guide on how to use Chemspace API to get pricing information. Link to Chem-space's API https://api.chem-space.com/docs/ == Email info@chem-space.com to obtain..."

21:5321:53, 8 April 2022 diff hist +10‎ TLDR ‎No edit summary
21:5221:52, 8 April 2022 diff hist +18‎ N Tools18 ‎ Khtang moved page Tools18 to TLDR current Tag: New redirect
21:5221:52, 8 April 2022 diff hist 0‎ m TLDR ‎ Khtang moved page Tools18 to TLDR

17:5117:51, 7 April 2022 diff hist +11‎ How to create a vpn/ssh tunnel ‎ →‎FOR LINUX AND MAC OS current

19:2019:20, 6 April 2022 diff hist +14‎ Mem2 ‎ →‎Some useful commands current
19:1919:19, 6 April 2022 diff hist +4‎ Mem2 ‎ →‎Some useful commands
19:1819:18, 6 April 2022 diff hist +491‎ N Mem2 ‎ Created page with "There are 3 postgres instances running on mem2. == Some useful commands == \l \\ list all databases \dt \\ list all relations (or tables) \du \\ list all users \dn \\ lis..."

23:4523:45, 22 March 2022 diff hist +53‎ Set up a Server ‎No edit summary

06:2706:27, 17 March 2022 diff hist +44‎ Install Schrodinger Suite in local computer ‎No edit summary current
06:2606:26, 17 March 2022 diff hist −681‎ Schrodinger ‎No edit summary
06:2306:23, 17 March 2022 diff hist +736‎ N Install Schrodinger Suite in local computer ‎ Created page with "=== Download Schrodinger Suite file === https://www.schrodinger.com/downloads/releases === Install === tar -xvf Advance....tar.gz cd Advance.... ./INSTALL === Connect t..."
06:1806:18, 17 March 2022 diff hist +22‎ Schrodinger ‎No edit summary
06:1706:17, 17 March 2022 diff hist −1‎ Schrodinger ‎No edit summary
06:1506:15, 17 March 2022 diff hist +2‎ Schrodinger ‎ →‎Get a License File:
06:1506:15, 17 March 2022 diff hist +43‎ Schrodinger ‎No edit summary
06:1406:14, 17 March 2022 diff hist 0‎ Schrodinger ‎ →‎Connect to bkslab's license server

18:3918:39, 14 March 2022 diff hist +78‎ N Fine Tranching with RDKit using Heavy Atom Count and LogP ‎ Khtang moved page Fine Tranching with RDKit using Heavy Atom Count and LogP to ZINC22:Fine Tranching with RDKit using Heavy Atom Count and LogP: Rename current Tag: New redirect
18:3918:39, 14 March 2022 diff hist 0‎ m ZINC22:Fine Tranching with RDKit using Heavy Atom Count and LogP ‎ Khtang moved page Fine Tranching with RDKit using Heavy Atom Count and LogP to ZINC22:Fine Tranching with RDKit using Heavy Atom Count and LogP: Rename current
18:3818:38, 14 March 2022 diff hist +63‎ ZINC22:Fine Tranching with RDKit using Heavy Atom Count and LogP ‎No edit summary

01:3301:33, 11 March 2022 diff hist +33‎ SynthI ‎No edit summary
01:3201:32, 11 March 2022 diff hist +340‎ SynthI ‎No edit summary
01:1101:11, 11 March 2022 diff hist −2‎ SynthI ‎No edit summary
01:1001:10, 11 March 2022 diff hist +336‎ SynthI ‎No edit summary
01:0101:01, 11 March 2022 diff hist +1,613‎ N SynthI ‎ Created page with "SynthI is a open-source tool for synthons-based library design written by [http://infochim.u-strasbg.fr/ Laboratoire-de-Chemoinformatique] at University of Strasbourg == Setu..."

00:5900:59, 5 March 2022 diff hist +97‎ Manage Lab Websites ‎No edit summary
00:5400:54, 5 March 2022 diff hist +11‎ Manage Lab Websites ‎ →‎List of Websites

19:2719:27, 2 March 2022 diff hist 0‎ Manage Lab Websites ‎ →‎List of Websites

06:4506:45, 22 February 2022 diff hist +23‎ Upgrade sqlite3 ‎No edit summary current
06:4406:44, 22 February 2022 diff hist +596‎ N Upgrade sqlite3 ‎ Created page with "This is a quick guide to upgrade sqlite3 on server and in python === Download sqlite3 source code === cd /tmp wget https://sqlite.org/2022/sqlite-autoconf-<version>.tar.gz..."

00:2900:29, 11 February 2022 diff hist +72‎ Schrodinger ‎No edit summary

18:4218:42, 9 February 2022 diff hist +57‎ Slurm ‎ →‎Troubleshooting
18:4118:41, 9 February 2022 diff hist +196‎ Slurm ‎No edit summary

21:4621:46, 7 February 2022 diff hist +248‎ Zfs ‎ →‎Example: Fixing degraded pool, replacing faulted disk

22:2222:22, 14 December 2021 diff hist 0‎ Shoichet Lab ‎No edit summary current
22:2122:21, 14 December 2021 diff hist +1‎ Shoichet Lab ‎No edit summary
22:2122:21, 14 December 2021 diff hist 0‎ N File:Bowling 2021.jpeg ‎No edit summary current

17:0317:03, 12 November 2021 diff hist +140‎ Slurm ‎ →‎Slurm Installation Guide

19:2819:28, 8 September 2021 diff hist +2‎ Setup ZINC22 database on Server ‎No edit summary current
19:2419:24, 8 September 2021 diff hist +1‎ Setup ZINC22 database on Server ‎No edit summary
19:2319:23, 8 September 2021 diff hist +40‎ Setup ZINC22 database on Server ‎No edit summary
19:2219:22, 8 September 2021 diff hist +1,247‎ N Setup ZINC22 database on Server ‎ Created page with "== Initial Postgres database == === Requirements === - Root privilege === Install Python === $ sh /nfs/home/chinzo/code/installation-utilities/install-python36.sh === Insta..."
18:5018:50, 8 September 2021 diff hist +18‎ How To Load New ZINC Databases ‎No edit summary current

18:3418:34, 19 May 2021 diff hist 0‎ Schrodinger ‎ →‎Licensing configuration Troubleshooting

05:2505:25, 8 March 2021 diff hist 0‎ Schrodinger ‎ →‎How to setup on you local computer

22:1422:14, 5 March 2021 diff hist +1‎ Schrodinger ‎ →‎How to setup on you local computer
22:1422:14, 5 March 2021 diff hist −2‎ Schrodinger ‎No edit summary
22:1322:13, 5 March 2021 diff hist +1‎ Schrodinger ‎ →‎Connect to bkslab's license server
22:1322:13, 5 March 2021 diff hist −2‎ Schrodinger ‎ →‎Connect to bkslab's license server
22:1322:13, 5 March 2021 diff hist +699‎ Schrodinger ‎No edit summary

01:1801:18, 25 February 2021 diff hist −13‎ Set up a Server ‎ →‎Troubleshooting
01:1801:18, 25 February 2021 diff hist 0‎ Set up a Server ‎ →‎Troubleshooting

22:0922:09, 22 February 2021 diff hist +58‎ Schrodinger ‎ →‎Troubleshooting: Ligprep fails "FATAL: Error: in replying to 'JPROXYPORT'"

16:5616:56, 9 November 2020 diff hist −13‎ Build ChEMBL for SEA ‎No edit summary

00:4600:46, 7 November 2020 diff hist +12‎ Build ChEMBL for SEA ‎ →‎Loading ChEMBL on PHI server
00:4500:45, 7 November 2020 diff hist −33‎ Build ChEMBL for SEA ‎ →‎Loading ChEMBL on PHI server
00:1300:13, 7 November 2020 diff hist +16‎ Build ChEMBL for SEA ‎No edit summary
00:1200:12, 7 November 2020 diff hist +58‎ Build ChEMBL for SEA ‎ →‎Setting up Postgres

07:4907:49, 5 November 2020 diff hist −75‎ Calculate NPR values & Generate Heatmap ‎ →‎Setup Python environment current
07:2907:29, 5 November 2020 diff hist +33‎ Calculate NPR values & Generate Heatmap ‎ →‎Calculate NPR
07:0607:06, 5 November 2020 diff hist +2‎ Calculate NPR values & Generate Heatmap ‎ →‎Plot
07:0607:06, 5 November 2020 diff hist −4‎ Calculate NPR values & Generate Heatmap ‎ →‎Plot
07:0507:05, 5 November 2020 diff hist +398‎ Calculate NPR values & Generate Heatmap ‎ →‎Make Heatmap
06:5406:54, 5 November 2020 diff hist +1‎ Calculate NPR values & Generate Heatmap ‎ →‎Run NPR calculation
06:5306:53, 5 November 2020 diff hist +2‎ Calculate NPR values & Generate Heatmap ‎ →‎Run NPR calculation
06:5306:53, 5 November 2020 diff hist +167‎ Calculate NPR values & Generate Heatmap ‎ →‎Run NPR calculation
06:4906:49, 5 November 2020 diff hist +7‎ Calculate NPR values & Generate Heatmap ‎ →‎Run NPR calculation
06:4806:48, 5 November 2020 diff hist +569‎ Calculate NPR values & Generate Heatmap ‎ →‎Calculate NPR

19:2319:23, 2 November 2020 diff hist +64‎ N Calculate NPR values & Generate Heatmap ‎ Created page with "== Calculate NPR == Anaconda3 environment == Make Heatmap =="

21:0021:00, 27 October 2020 diff hist +39‎ How To Load New ZINC Databases ‎No edit summary

16:4916:49, 20 October 2020 diff hist −18‎ Manage Lab Websites ‎ →‎List of Websites
16:4916:49, 20 October 2020 diff hist +15‎ Manage Lab Websites ‎ →‎List of Websites
16:4516:45, 20 October 2020 diff hist +27‎ Manage Lab Websites ‎No edit summary
16:4416:44, 20 October 2020 diff hist +10‎ Manage Lab Websites ‎ →‎List of Websites
16:4416:44, 20 October 2020 diff hist −1‎ Manage Lab Websites ‎ →‎List of Websites
16:4316:43, 20 October 2020 diff hist +21‎ Manage Lab Websites ‎ →‎List of Websites

22:2322:23, 16 October 2020 diff hist +23‎ DNS Notes ‎No edit summary current
22:2222:22, 16 October 2020 diff hist +1,390‎ N DNS Notes ‎ Created page with "'''Updated 10/16/2020''' EVERYTHING ALPHA == Troubleshooting == '''PLEASE MAKE BACKUP BEFORE YOU EDIT ANY FILE!!!''' === Broken DNS Bind/named service === $ nslookup <server..."

23:5723:57, 8 October 2020 diff hist +14‎ Schrodinger ‎No edit summary
23:5423:54, 8 October 2020 diff hist +310‎ Schrodinger ‎No edit summary
17:3917:39, 8 October 2020 diff hist +108‎ Schrodinger ‎ →‎Licensing

20:0420:04, 7 October 2020 diff hist +8‎ Replacing failed disk on Server ‎ →‎On shin

17:2917:29, 22 September 2020 diff hist +56‎ Set up a Server ‎ →‎Packages Installation
17:2717:27, 22 September 2020 diff hist +10‎ Set up a Server ‎ →‎Others
17:2617:26, 22 September 2020 diff hist +6‎ Set up a Server ‎ →‎Puppet SSL issue
17:2617:26, 22 September 2020 diff hist +13‎ Set up a Server ‎ →‎Puppet SSL issue
17:2417:24, 22 September 2020 diff hist −5‎ Set up a Server ‎ →‎Puppet SSL issue
17:2117:21, 22 September 2020 diff hist +383‎ Set up a Server ‎No edit summary

20:1420:14, 24 July 2020 diff hist 0‎ Zfs ‎ →‎Add alias to machine and mount point to puppet
20:1220:12, 24 July 2020 diff hist +249‎ Zfs ‎No edit summary
20:0820:08, 24 July 2020 diff hist +995‎ PuppetTricks ‎No edit summary
19:1519:15, 24 July 2020 diff hist −2‎ Zfs ‎ →‎ZFS packages installation
19:0619:06, 24 July 2020 diff hist +6‎ Zfs ‎ →‎Mon Jul 20 2020
19:0619:06, 24 July 2020 diff hist +59‎ Zfs ‎ →‎Mon Jul 20 2020

21:5221:52, 23 July 2020 diff hist −8‎ Replacing failed disk on Server ‎ →‎On shin / resh
21:4921:49, 23 July 2020 diff hist +227‎ Replacing failed disk on Server ‎ →‎How to check if disk is failed or install correctly
21:4321:43, 23 July 2020 diff hist +53‎ Replacing failed disk on Server ‎No edit summary
21:4121:41, 23 July 2020 diff hist +45‎ N Replacing failed disk on Cluster 0 ‎ Khtang moved page Replacing failed disk on Cluster 0 to Replacing failed disk on Server: rename current
21:4121:41, 23 July 2020 diff hist 0‎ m Replacing failed disk on Server ‎ Khtang moved page Replacing failed disk on Cluster 0 to Replacing failed disk on Server: rename
21:3921:39, 23 July 2020 diff hist +52‎ Sysadmin ‎No edit summary
21:2921:29, 23 July 2020 diff hist −1‎ PuppetTricks ‎ →‎changing mounts, dbraw =

23:0423:04, 22 July 2020 diff hist +2‎ Zfs ‎ →‎Troubleshooting
23:0323:03, 22 July 2020 diff hist −2‎ Zfs ‎ →‎Identify failed disk by LED light
23:0323:03, 22 July 2020 diff hist +295‎ Zfs ‎ →‎Identify failed disk by LED light
22:5922:59, 22 July 2020 diff hist +437‎ Zfs ‎ →‎Troubleshooting

22:5522:55, 21 July 2020 diff hist +80‎ Zfs ‎No edit summary
21:3621:36, 21 July 2020 diff hist +21‎ Zfs ‎No edit summary
20:2620:26, 21 July 2020 diff hist +21‎ Zfs ‎ →‎zpool destroy : Failed to unmount - device busy
17:0817:08, 21 July 2020 diff hist +26‎ Sharing file systems with nfs server and mounting file systems with nfs client ‎ →‎Sharing file systems with nfs server current
05:4205:42, 21 July 2020 diff hist +1‎ Zfs ‎No edit summary
05:4005:40, 21 July 2020 diff hist +246‎ Zfs ‎No edit summary
05:3505:35, 21 July 2020 diff hist +100‎ Zfs ‎No edit summary
05:3205:32, 21 July 2020 diff hist +1,052‎ Zfs ‎No edit summary
05:0805:08, 21 July 2020 diff hist +277‎ Zfs ‎No edit summary

23:2923:29, 14 July 2020 diff hist +14‎ Slurm ‎ →‎Setup Compute Nodes
22:5822:58, 14 July 2020 diff hist +46‎ Set up a Server ‎ →‎Troubleshooting
20:4720:47, 14 July 2020 diff hist +169‎ Set up a Server ‎ →‎Troubleshooting
05:4605:46, 14 July 2020 diff hist +1‎ Set up a Server ‎ →‎Troubleshooting
05:4605:46, 14 July 2020 diff hist +538‎ Set up a Server ‎No edit summary

02:2202:22, 10 July 2020 diff hist +15‎ Tomcat Installation on CentOS 6 ‎ →‎Introduction current
02:2202:22, 10 July 2020 diff hist −73‎ Tomcat Installation on CentOS 6 ‎No edit summary
02:2102:21, 10 July 2020 diff hist +45‎ N Tomcat on n-9-22 ‎ Khtang moved page Tomcat on n-9-22 to Tomcat Installation on CentOS 6: rename current
02:2102:21, 10 July 2020 diff hist 0‎ m Tomcat Installation on CentOS 6 ‎ Khtang moved page Tomcat on n-9-22 to Tomcat Installation on CentOS 6: rename
00:2200:22, 10 July 2020 diff hist 0‎ Tomcat Installation on CentOS 6 ‎No edit summary
00:2000:20, 10 July 2020 diff hist +1‎ Tomcat Installation on CentOS 6 ‎No edit summary

22:0122:01, 29 June 2020 diff hist 0‎ Slurm ‎ →‎Submit load2d Jobs
17:2417:24, 29 June 2020 diff hist +477‎ Slurm ‎ →‎SBATCH-MR (beta testing)

23:5923:59, 26 June 2020 diff hist +399‎ Slurm ‎No edit summary
23:0923:09, 26 June 2020 diff hist +144‎ Slurm ‎No edit summary
23:0423:04, 26 June 2020 diff hist +17‎ N Category:Slurm ‎ Created page with "Slurm information" current
23:0323:03, 26 June 2020 diff hist +22‎ Slurm ‎No edit summary
18:5618:56, 26 June 2020 diff hist +111‎ Slurm ‎No edit summary

20:2720:27, 9 June 2020 diff hist 0‎ N File:Globus error.png ‎No edit summary current

17:2917:29, 31 May 2020 diff hist −26‎ Zfs ‎ →‎Example: Fixing degraded pool, replacing faulted disk
17:2817:28, 31 May 2020 diff hist +1,567‎ Zfs ‎ →‎Example: Fixing degraded pool, replacing faulted disk

19:4119:41, 1 May 2020 diff hist +55‎ Btz ‎ →‎Search in bulk current

19:1019:10, 28 April 2020 diff hist +35‎ LoadingZINC21 ‎No edit summary
17:3817:38, 28 April 2020 diff hist +27‎ LoadingZINC21 ‎No edit summary
17:3717:37, 28 April 2020 diff hist −28‎ LoadingZINC21 ‎No edit summary
17:3617:36, 28 April 2020 diff hist +29‎ LoadingZINC21 ‎No edit summary
17:3017:30, 28 April 2020 diff hist +836‎ N LoadingZINC21 ‎ Created page with "=== Load 2d === 1. Extract smiles from sdf done on csh source ~jji/cshrc.save pc2unix <sdf> source ~teague/virtualenvs/zinc/env.csh zincload-sdf --id-field <id_field> --n..."

21:2921:29, 24 April 2020 diff hist −1‎ Create new user ‎ →‎Add s_ user in alpha
21:2921:29, 24 April 2020 diff hist +228‎ Create new user ‎No edit summary

22:5922:59, 22 April 2020 diff hist +48‎ Schrodinger ‎No edit summary

18:4718:47, 16 April 2020 diff hist 0‎ FastROCS ‎ →‎1. Set up virtual environment
18:4618:46, 16 April 2020 diff hist +1‎ FastROCS ‎ →‎2. Run search

18:1718:17, 14 April 2020 diff hist +1‎ Btz ‎ →‎Search in bulk

22:2922:29, 8 April 2020 diff hist −1‎ Replacing failed disk on Server ‎ →‎How to check if Disk failed
22:2922:29, 8 April 2020 diff hist +1,777‎ Replacing failed disk on Server ‎ →‎How to check if Disk failed
22:2122:21, 8 April 2020 diff hist +67‎ Replacing failed disk on Server ‎No edit summary
05:2005:20, 8 April 2020 diff hist +13‎ Schrodinger ‎ →‎Licensing configuration Troubleshooting
05:1805:18, 8 April 2020 diff hist +461‎ Schrodinger ‎ →‎Licensing configuration Troubleshooting
04:5604:56, 8 April 2020 diff hist +1,195‎ Schrodinger ‎ →‎Licensing configuration Troubleshooting

23:5023:50, 7 April 2020 diff hist +82‎ Schrodinger ‎ →‎Licensing configuration Troubleshooting on 04/03/2020
23:0623:06, 7 April 2020 diff hist +73‎ Schrodinger ‎No edit summary

22:5422:54, 30 March 2020 diff hist +481‎ Btz ‎No edit summary

00:2900:29, 27 March 2020 diff hist −392‎ CSD ‎No edit summary current

01:1401:14, 26 March 2020 diff hist +32‎ Set up a Server ‎ →‎Packages Installation
01:1401:14, 26 March 2020 diff hist +46‎ Set up a Server ‎ →‎Testing puppet

04:3104:31, 24 March 2020 diff hist +47‎ Set up a Server ‎No edit summary
04:3004:30, 24 March 2020 diff hist +3‎ Set up a Server ‎ →‎Troubleshooting
04:3004:30, 24 March 2020 diff hist +9‎ Set up a Server ‎ →‎Troubleshooting
04:2904:29, 24 March 2020 diff hist −1‎ Set up a Server ‎ →‎Troubleshooting
04:2904:29, 24 March 2020 diff hist +7‎ Set up a Server ‎ →‎Troubleshooting
04:2804:28, 24 March 2020 diff hist +1,258‎ Set up a Server ‎ →‎Troubleshooting
04:2604:26, 24 March 2020 diff hist 0‎ Set up a Server ‎No edit summary
04:2504:25, 24 March 2020 diff hist −2‎ Set up a Server ‎ →‎Step 2 : Network Configuration
04:2404:24, 24 March 2020 diff hist +2,567‎ Set up a Server ‎No edit summary
04:0504:05, 24 March 2020 diff hist +1,321‎ Set up a Server ‎No edit summary
03:0103:01, 24 March 2020 diff hist +1,126‎ Set up a Server ‎ →‎Change Boot Order

20:1520:15, 23 March 2020 diff hist +64‎ Set up a Server ‎ →‎Change Boot Order
20:0720:07, 23 March 2020 diff hist −1‎ Set up a Server ‎ →‎Puppet =
20:0620:06, 23 March 2020 diff hist +205‎ Set up a Server ‎ →‎Installing CentOS 7 =
20:0320:03, 23 March 2020 diff hist +152‎ N Set up a Server ‎ Created page with "This page described how to install CentOS and setup/troubleshooting puppet ==== Installing CentOS 7 ===== ==== Puppet ===== === Troubleshooting ==="

18:3318:33, 16 March 2020 diff hist +1‎ Set up a new Desktop ‎No edit summary

19:3519:35, 21 February 2020 diff hist +45‎ Set up a new Desktop ‎ →‎Installation

21:3421:34, 24 December 2019 diff hist +159‎ Manage Lab Websites ‎ →‎Restart Instructions
21:0321:03, 24 December 2019 diff hist +131‎ Manage Lab Websites ‎ →‎For websites running on Supervisord
21:0121:01, 24 December 2019 diff hist +32‎ Manage Lab Websites ‎ →‎Transportal

21:5621:56, 17 December 2019 diff hist +22‎ Manage Lab Websites ‎No edit summary
20:0820:08, 17 December 2019 diff hist +598‎ Manage Lab Websites ‎No edit summary
19:3619:36, 17 December 2019 diff hist +330‎ N Manage Lab Websites ‎ Created page with "== List of Websites == * SEA * Transportal * Excipients * BKSLab * IrwinLab * TLDR (formerly known as Tools18) {| class="wikitable" |Website |Server |Run on |- |BKSLab, Irwin..."

18:0118:01, 28 October 2019 diff hist −1‎ Upload Wizard ‎ →‎Company Form current
17:5717:57, 28 October 2019 diff hist 0‎ Upload Wizard ‎ →‎Instruction of filling in "Catalog Info" section:

17:4117:41, 11 October 2019 diff hist +12‎ Build ChEMBL for SEA ‎No edit summary
17:4017:40, 11 October 2019 diff hist −10‎ Build ChEMBL for SEA ‎ →‎Script 1: Get ZINC info for ChEMBL
17:3917:39, 11 October 2019 diff hist −81‎ Build ChEMBL for SEA ‎ →‎Setting up Matt's R packages
17:3417:34, 11 October 2019 diff hist +16‎ Sea16 restart ‎No edit summary current

20:4520:45, 10 October 2019 diff hist +42‎ FastROCS Server ‎No edit summary current
20:4420:44, 10 October 2019 diff hist +18‎ FastROCS ‎No edit summary
18:0918:09, 10 October 2019 diff hist +61‎ N Category:Khanh ‎ Created page with "Here is the list of items that I had worked or am working on." current
18:0818:08, 10 October 2019 diff hist +19‎ Build ChEMBL for SEA ‎No edit summary
18:0618:06, 10 October 2019 diff hist −8‎ Upload Wizard ‎ →‎Admin Instruction
18:0618:06, 10 October 2019 diff hist −2‎ JupyterNotebook Guide ‎No edit summary current
18:0518:05, 10 October 2019 diff hist +24‎ JupyterNotebook Guide ‎No edit summary
17:4617:46, 10 October 2019 diff hist −30‎ JupyterNotebook Guide ‎No edit summary
17:4617:46, 10 October 2019 diff hist +2‎ JupyterNotebook Guide ‎No edit summary
17:4517:45, 10 October 2019 diff hist +28‎ JupyterNotebook Guide ‎No edit summary

19:0119:01, 9 October 2019 diff hist 0‎ JupyterNotebook Guide ‎ →‎Using JupyterNotebook
19:0119:01, 9 October 2019 diff hist +26‎ JupyterNotebook Guide ‎No edit summary
18:5918:59, 9 October 2019 diff hist +4‎ JupyterNotebook Guide ‎No edit summary
18:5918:59, 9 October 2019 diff hist +1,083‎ N JupyterNotebook Guide ‎ Created page with "Here is the guide for installing and running JupyterNotebook from your Centos local computer. ==Install PupyterNotebook== There are 2 ways to install: Python virtualenv or Con..."

22:4122:41, 23 September 2019 diff hist +41‎ Upload Wizard ‎No edit summary

18:5518:55, 20 September 2019 diff hist +17‎ Create new user ‎ →‎Create User's Home Directory

23:3623:36, 19 September 2019 diff hist −2‎ Create new user ‎No edit summary
23:3623:36, 19 September 2019 diff hist +3‎ Create new user ‎ →‎Identify a UID

21:4721:47, 13 September 2019 diff hist +438‎ Create new user ‎No edit summary
21:2921:29, 13 September 2019 diff hist +273‎ Create new user ‎ →‎To create a visitor:
20:4320:43, 13 September 2019 diff hist +181‎ Create new user ‎No edit summary
20:3620:36, 13 September 2019 diff hist +41‎ Create new user ‎No edit summary

19:5319:53, 12 September 2019 diff hist +18‎ Installing New Server in Cluster ‎ →‎Mouznting machine to cluster current
19:1919:19, 12 September 2019 diff hist +8‎ Installing New Server in Cluster ‎ →‎Mouznting machine to cluster
19:1919:19, 12 September 2019 diff hist +831‎ Installing New Server in Cluster ‎ →‎Mounting machine to cluster
19:1519:15, 12 September 2019 diff hist 0‎ N File:Zfs-repo.png ‎No edit summary current
18:5618:56, 12 September 2019 diff hist +803‎ Installing New Server in Cluster ‎ →‎Assigning Network Switches

17:4817:48, 11 September 2019 diff hist 0‎ m Installing New Server in Cluster ‎ Khtang moved page Installing New Machine in Cluster to Installing New Server in Cluster without leaving a redirect
17:4817:48, 11 September 2019 diff hist +36‎ Installing New Server in Cluster ‎No edit summary
17:4217:42, 11 September 2019 diff hist −1‎ Replacing failed disk on Server ‎ →‎How to check if Disk failed
17:4217:42, 11 September 2019 diff hist +7‎ Replacing failed disk on Server ‎ →‎How to check if Disk failed
17:4117:41, 11 September 2019 diff hist +2‎ Replacing failed disk on Server ‎ →‎How to check if disk is failed or install correctly
17:1017:10, 11 September 2019 diff hist +17‎ Build ChEMBL for SEA ‎ →‎Script 2-4
17:0917:09, 11 September 2019 diff hist +383‎ Build ChEMBL for SEA ‎ →‎Script 1: Get ZINC info for ChEMBL
16:5516:55, 11 September 2019 diff hist +9‎ Upload Wizard ‎ →‎File Format Supported
00:2600:26, 11 September 2019 diff hist +2,050‎ N Installing New Server in Cluster ‎ Created page with "== Hardware Installation == == Linux Installation == == Setup Puppet == == Register Machine on Foreman == Create New Host on Foreman. It is a good to look at an another ..."

22:5722:57, 10 September 2019 diff hist 0‎ N File:Switch-menu.png ‎No edit summary current
21:2221:22, 10 September 2019 diff hist +507‎ Set up a new Desktop ‎No edit summary
21:0221:02, 10 September 2019 diff hist +443‎ Set up a new Desktop ‎ →‎Install Puppet and Create Puppet Certificate
21:0221:02, 10 September 2019 diff hist −343‎ Set up a new Desktop ‎ →‎Install Puppet and Create Puppet Certificate
20:5920:59, 10 September 2019 diff hist +20‎ Set up a new Desktop ‎ →‎Edit Puppet configuration on foreman.uscf.bkslab.org
20:5820:58, 10 September 2019 diff hist 0‎ Set up a new Desktop ‎ →‎Edit Puppet configuration on foreman.uscf.bkslab.org
20:5820:58, 10 September 2019 diff hist +170‎ Set up a new Desktop ‎ →‎Edit Puppet configuration on foreman.uscf.bkslab.org
16:5716:57, 10 September 2019 diff hist +60‎ Upload Wizard ‎No edit summary
16:5516:55, 10 September 2019 diff hist +69‎ Upload Wizard ‎No edit summary
16:5416:54, 10 September 2019 diff hist −1‎ Upload Wizard ‎ →‎Catalog File Splitting Instruction
16:5416:54, 10 September 2019 diff hist +165‎ Upload Wizard ‎ →‎Catalog File Splitting Instruction
00:5000:50, 10 September 2019 diff hist 0‎ Upload Wizard ‎ →‎Catalog File Splitting Instruction
00:4900:49, 10 September 2019 diff hist 0‎ Upload Wizard ‎ →‎Version Releases
00:4800:48, 10 September 2019 diff hist +37‎ Upload Wizard ‎ →‎Catalog File Splitting Instruction
00:4300:43, 10 September 2019 diff hist −14‎ Upload Wizard ‎ →‎Catalog File Splitting Instruction
00:4200:42, 10 September 2019 diff hist +16‎ Upload Wizard ‎ →‎Catalog File Splitting Instruction
00:4100:41, 10 September 2019 diff hist +9‎ Upload Wizard ‎ →‎Catalog File Splitting Instruction
00:4100:41, 10 September 2019 diff hist +479‎ Upload Wizard ‎ →‎Upload instructions
00:1700:17, 10 September 2019 diff hist 0‎ N File:Upload.png ‎No edit summary current
00:0500:05, 10 September 2019 diff hist +120‎ Sysadmin idioms ‎ →‎Cluster 2 current

23:5823:58, 9 September 2019 diff hist −1‎ Upload Wizard ‎ →‎Version Releases
23:5823:58, 9 September 2019 diff hist +49‎ Upload Wizard ‎No edit summary
23:5623:56, 9 September 2019 diff hist +1‎ Upload Wizard ‎ →‎Pipeline
23:5623:56, 9 September 2019 diff hist +85‎ Upload Wizard ‎ →‎Pipeline
23:2923:29, 9 September 2019 diff hist 0‎ N File:Upload wizard pipeline.png ‎No edit summary current
21:5221:52, 9 September 2019 diff hist +86‎ Upload Wizard ‎ →‎File Format Supported
21:5021:50, 9 September 2019 diff hist +51‎ Upload Wizard ‎ →‎Upload instructions
21:4921:49, 9 September 2019 diff hist +68‎ Upload Wizard ‎ →‎Upload instructions
21:2921:29, 9 September 2019 diff hist −3‎ Upload Wizard ‎ →‎Limit File Size
21:2921:29, 9 September 2019 diff hist +111‎ Upload Wizard ‎ →‎Limit File Size
21:2721:27, 9 September 2019 diff hist +839‎ Upload Wizard ‎ →‎File Format Supported
21:2421:24, 9 September 2019 diff hist +1‎ Upload Wizard ‎ →‎Background
21:2221:22, 9 September 2019 diff hist −10‎ Upload Wizard ‎ →‎==
21:1221:12, 9 September 2019 diff hist −2‎ Upload Wizard ‎ →‎Instruction of filling in "Catalog Info" section:
20:4720:47, 9 September 2019 diff hist +218‎ Upload Wizard ‎ →‎Upload instructions
20:4420:44, 9 September 2019 diff hist −2‎ Upload Wizard ‎ →‎Instruction of filling in "Catalog Info" section:
20:4320:43, 9 September 2019 diff hist +9‎ Upload Wizard ‎ →‎Instruction of filling in "Catalog Info" section:
20:4120:41, 9 September 2019 diff hist +376‎ Upload Wizard ‎ →‎Getting Started
18:2818:28, 9 September 2019 diff hist 0‎ N File:Sdf catalog info.png ‎No edit summary current
18:2718:27, 9 September 2019 diff hist +50‎ Upload Wizard ‎ →‎Company Form
17:4817:48, 9 September 2019 diff hist +537‎ Upload Wizard ‎ →‎Getting Started

22:0622:06, 6 September 2019 diff hist +150‎ Upload Wizard ‎No edit summary
21:5821:58, 6 September 2019 diff hist +83‎ Upload Wizard ‎No edit summary
21:0621:06, 6 September 2019 diff hist +346‎ N Upload Wizard ‎ Created page with "== Background == The aim for this website is to provide a easier way for ZINC vendors send catalogs updates on ZINC in oppose to sending us email in the past. The interface i..."
18:2518:25, 6 September 2019 diff hist +309‎ Set up a new Desktop ‎No edit summary

21:5921:59, 3 September 2019 diff hist +215‎ Set up a new Desktop ‎No edit summary
20:4220:42, 3 September 2019 diff hist +1,023‎ Set up a new Desktop ‎No edit summary
19:2119:21, 3 September 2019 diff hist +475‎ Set up a new Desktop ‎No edit summary

23:1823:18, 30 August 2019 diff hist +1,564‎ N Set up a new Desktop ‎ Created page with "==Getting a Bootable USB Stick== You can borrow it from the Sysadmin or DIY one with instruction [https://www.linux.com/tutorials/how-burn-iso-usb-drive/ here] ==Installin..."
19:0519:05, 30 August 2019 diff hist +66‎ Sharing file systems with nfs server and mounting file systems with nfs client ‎No edit summary
19:0419:04, 30 August 2019 diff hist 0‎ N File:Showmount.png ‎No edit summary current
19:0319:03, 30 August 2019 diff hist 0‎ N File:Mounted.png ‎No edit summary current
19:0319:03, 30 August 2019 diff hist +10‎ Sharing file systems with nfs server and mounting file systems with nfs client ‎No edit summary
19:0019:00, 30 August 2019 diff hist +28‎ Sharing file systems with nfs server and mounting file systems with nfs client ‎No edit summary
18:5918:59, 30 August 2019 diff hist 0‎ N File:Puppet status.png ‎No edit summary current
18:5618:56, 30 August 2019 diff hist +69‎ Sharing file systems with nfs server and mounting file systems with nfs client ‎No edit summary

21:0421:04, 27 August 2019 diff hist +1‎ Sharing file systems with nfs server and mounting file systems with nfs client ‎No edit summary
21:0321:03, 27 August 2019 diff hist +1‎ Sharing file systems with nfs server and mounting file systems with nfs client ‎No edit summary

19:0819:08, 26 August 2019 diff hist +27‎ Replacing failed disk on Server ‎No edit summary

22:2022:20, 23 August 2019 diff hist +3‎ Replacing failed disk on Server ‎No edit summary
22:2022:20, 23 August 2019 diff hist +71‎ N Category:Ben ‎ Created page with "Here are collection of our notes from shadowing Ben --Khanh & Jennifer" current
22:1922:19, 23 August 2019 diff hist +4,215‎ N Replacing failed disk on Server ‎ Created page with "== How to check if Disk failed== Check for the light on disk: Solid Yellow => Fail Blinking Yellow => Predictive Failure (going to fail soon) Green => Normal === Replace disk ..."

19:5619:56, 7 August 2019 diff hist −2‎ List of Docking.org websites ‎No edit summary
19:5619:56, 7 August 2019 diff hist 0‎ List of Docking.org websites ‎No edit summary
19:5619:56, 7 August 2019 diff hist +15‎ List of Docking.org websites ‎No edit summary
19:5519:55, 7 August 2019 diff hist +3‎ List of Docking.org websites ‎No edit summary
19:5519:55, 7 August 2019 diff hist +460‎ N List of Docking.org websites ‎ Created page with "==List== {| class="wikitable" |- ! scope="col"| Website ! scope="col"| Server ! scope="col"| Port |- ! scope="row"| Advisor | Unknown | Unknown |- ! scope="row"| BKSLab ..."

23:4823:48, 4 June 2019 diff hist +94‎ Add Tools18 module ‎ →‎Add job type into psql table

22:2122:21, 16 May 2019 diff hist +12‎ Build ChEMBL for SEA ‎ →‎Script 5.1: Precalculate compound images
22:2122:21, 16 May 2019 diff hist +454‎ Build ChEMBL for SEA ‎ →‎Generating data files for SEA

17:4317:43, 30 April 2019 diff hist +248‎ Build ChEMBL for SEA ‎ →‎Script 1: Get ZINC info for ChEMBL

18:5618:56, 25 April 2019 diff hist −7‎ Build ChEMBL for SEA ‎ →‎Loading ChEMBL on PHI server
18:5518:55, 25 April 2019 diff hist 0‎ Build ChEMBL for SEA ‎ →‎Script 1: Get ZINC info for ChEMBL
18:4318:43, 25 April 2019 diff hist +3‎ Build ChEMBL for SEA ‎ →‎Script 1: Get ZINC info for ChEMBL
18:4318:43, 25 April 2019 diff hist +717‎ Build ChEMBL for SEA ‎ →‎Generating data files for SEA

00:2500:25, 20 April 2019 diff hist +59‎ FastROCS ‎No edit summary

00:0700:07, 19 April 2019 diff hist −7‎ Build ChEMBL for SEA ‎ →‎Setting up Matt's R packages
00:0600:06, 19 April 2019 diff hist −1‎ Build ChEMBL for SEA ‎ →‎Download Zr
00:0600:06, 19 April 2019 diff hist +37‎ Build ChEMBL for SEA ‎ →‎Download Bethany
00:0600:06, 19 April 2019 diff hist +34‎ Build ChEMBL for SEA ‎ →‎Download SEAR
00:0500:05, 19 April 2019 diff hist +32‎ Build ChEMBL for SEA ‎ →‎Download Zr
00:0400:04, 19 April 2019 diff hist −1‎ Build ChEMBL for SEA ‎ →‎Download BioChemPantry
00:0400:04, 19 April 2019 diff hist +1‎ Build ChEMBL for SEA ‎ →‎Download BioChemPantry
00:0400:04, 19 April 2019 diff hist +42‎ Build ChEMBL for SEA ‎ →‎Setting up Matt's R packages
00:0300:03, 19 April 2019 diff hist +18‎ Build ChEMBL for SEA ‎ →‎Loading ChEMBL on PHI server
00:0100:01, 19 April 2019 diff hist −5‎ Build ChEMBL for SEA ‎ →‎Set up library building script
00:0100:01, 19 April 2019 diff hist +3‎ Build ChEMBL for SEA ‎ →‎Set up library building script
00:0000:00, 19 April 2019 diff hist +71‎ Build ChEMBL for SEA ‎ →‎Setting up Matt's R packages
00:0000:00, 19 April 2019 diff hist +1‎ Build ChEMBL for SEA ‎ →‎Generating data files for SEA

23:5923:59, 18 April 2019 diff hist +119‎ Build ChEMBL for SEA ‎ →‎Generating data files for SEA
23:5823:58, 18 April 2019 diff hist +56‎ Build ChEMBL for SEA ‎No edit summary

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