User contributions for Khtang
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22 April 2024
- 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
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
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
- 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"