User contributions for Khtang
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22 March 2024
- 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
18 March 2024
- 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
15 February 2024
- 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
13 February 2024
- 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"
8 February 2024
- 19:5519:55, 8 February 2024 diff hist 0 FEP+ for GPCR No edit summary current
22 November 2023
- 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
21 September 2023
- 19:5519:55, 21 September 2023 diff hist +22 Chemistry commons Notes No edit summary current
20 September 2023
- 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
22 June 2023
- 21:1921:19, 22 June 2023 diff hist +215 Build ChEMBL for SEA →Setting up Postgres current
12 May 2023
- 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
27 April 2023
- 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
29 March 2023
- 20:0020:00, 29 March 2023 diff hist +18 LUNA No edit summary current
28 March 2023
- 19:4219:42, 28 March 2023 diff hist −9 LUNA →Install Instruction
13 March 2023
- 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..."
7 February 2023
- 23:0623:06, 7 February 2023 diff hist +96 Slurm No edit summary current
2 December 2022
- 22:3722:37, 2 December 2022 diff hist +31 LoadingZINC21 →Load 2d
- 17:0817:08, 2 December 2022 diff hist +926 LoadingZINC21 →Load 2d
9 November 2022
- 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
8 November 2022
- 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
4 November 2022
- 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 ==..."
28 October 2022
- 19:4319:43, 28 October 2022 diff hist +673 Slurm →GPUs specification
11 October 2022
- 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
7 October 2022
- 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
1 October 2022
- 01:1001:10, 1 October 2022 diff hist +18 Schrodinger →Debugging:
23 September 2022
- 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
1 September 2022
- 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
31 August 2022
- 20:3620:36, 31 August 2022 diff hist −1 Tunnel how to No edit summary current
20 August 2022
- 02:3902:39, 20 August 2022 diff hist +384 Schrodinger →Troubleshooting
18 August 2022
- 18:1618:16, 18 August 2022 diff hist +2 Ssh tunnel (Trent's way) No edit summary current
9 August 2022
- 22:2922:29, 9 August 2022 diff hist +61 Zfs →Identify failed disk by LED light current
- 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
8 August 2022
- 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..."
5 August 2022
- 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
4 August 2022
- 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.''..."
25 July 2022
- 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
8 July 2022
- 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
21 June 2022
- 17:2417:24, 21 June 2022 diff hist +6 How to use SmallWorld API No edit summary
8 June 2022
- 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
27 May 2022
- 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
24 May 2022
- 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
19 May 2022
- 00:0000:00, 19 May 2022 diff hist +228 TLDR No edit summary
18 May 2022
- 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
17 May 2022
- 18:2018:20, 17 May 2022 diff hist +738 Replacing failed disk on Server No edit summary current
13 May 2022
- 22:4122:41, 13 May 2022 diff hist +45 2dload No edit summary current
2 May 2022
- 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
21 April 2022
- 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
18 April 2022
- 17:3917:39, 18 April 2022 diff hist +36 TLDR No edit summary
12 April 2022
- 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..."
8 April 2022
- 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
7 April 2022
- 17:5117:51, 7 April 2022 diff hist +11 How to create a vpn/ssh tunnel →FOR LINUX AND MAC OS current
6 April 2022
- 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..."
22 March 2022
- 23:4523:45, 22 March 2022 diff hist +53 Set up a Server No edit summary
17 March 2022
- 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
14 March 2022
- 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
11 March 2022
- 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..."
5 March 2022
- 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
2 March 2022
22 February 2022
- 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..."
11 February 2022
- 00:2900:29, 11 February 2022 diff hist +72 Schrodinger No edit summary
9 February 2022
- 18:4218:42, 9 February 2022 diff hist +57 Slurm →Troubleshooting
- 18:4118:41, 9 February 2022 diff hist +196 Slurm No edit summary
7 February 2022
- 21:4621:46, 7 February 2022 diff hist +248 Zfs →Example: Fixing degraded pool, replacing faulted disk
14 December 2021
- 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
12 November 2021
- 17:0317:03, 12 November 2021 diff hist +140 Slurm →Slurm Installation Guide
8 September 2021
- 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
19 May 2021
8 March 2021
5 March 2021
- 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
25 February 2021
- 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 February 2021
- 22:0922:09, 22 February 2021 diff hist +58 Schrodinger →Troubleshooting: Ligprep fails "FATAL: Error: in replying to 'JPROXYPORT'"
9 November 2020
- 16:5616:56, 9 November 2020 diff hist −13 Build ChEMBL for SEA No edit summary
7 November 2020
- 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
5 November 2020
- 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