User contributions for Khtang
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20 September 2023
- 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