User contributions for Khtang
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8 August 2022
- 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