User contributions for Zdingman
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30 March 2026
- 23:1723:17, 30 March 2026 diff hist −9 m Zoey's way of filtering LSD No edit summary current
26 March 2026
- 23:4023:40, 26 March 2026 diff hist +194 Zoey's way of filtering LSD added bfc instructions.
- 21:4121:41, 26 March 2026 diff hist +110 m Zoey's way of filtering LSD No edit summary
- 21:3521:35, 26 March 2026 diff hist −200 m Zoey's way of filtering LSD No edit summary
- 21:3421:34, 26 March 2026 diff hist +697 Zoey's way of filtering LSD Finally documented my scripts for combining structures/interactions/energies and rank ordering.
- 19:0219:02, 26 March 2026 diff hist +293 m Zoey's way of filtering LSD No edit summary
- 18:5218:52, 26 March 2026 diff hist +22 m Zoey's way of filtering LSD Moved the awk instructions to streamline readability.
25 March 2026
- 20:3420:34, 25 March 2026 diff hist −88 Zoey's way of filtering LSD Updating script paths.
14 March 2026
- 00:5800:58, 14 March 2026 diff hist −9 How to Use SWAG Added link to analog filtering page. current
- 00:5500:55, 14 March 2026 diff hist +2,917 N Using SWAG to filter analogs by Graph Edit Distance Created page. current
23 January 2026
- 20:3920:39, 23 January 2026 diff hist +77 m How to Use SWAG No edit summary
22 January 2026
- 04:4904:49, 22 January 2026 diff hist +1 m How to Use SWAG No edit summary
- 04:4404:44, 22 January 2026 diff hist +4,170 N How to Use SWAG Created page. Documentation based on that in README.txt
15 December 2025
- 23:0623:06, 15 December 2025 diff hist +36 m Zoey's way of filtering LSD Noting that JK's scripts hardcode IFP file name.
27 August 2025
- 00:3300:33, 27 August 2025 diff hist +1,310 N Filter xREAL by Heavy Atom Count Created page. Providing a hack-y tool that works well enough to filter large batches of SMI files by HAC. current
16 November 2024
- 04:1904:19, 16 November 2024 diff hist +149 m Zoey's way of filtering LSD No edit summary
20 September 2024
- 18:4218:42, 20 September 2024 diff hist +2,222 Zoey's way of filtering LSD No edit summary
19 September 2024
- 19:5719:57, 19 September 2024 diff hist +1,086 m Zoey's way of filtering LSD No edit summary
- 19:0619:06, 19 September 2024 diff hist +909 N Zoey's way of filtering LSD Created page with "This is my current method (2024-09) of filtering LSD results, and the culmination of discussion with several other lab members to determine the "best" way to filter LSD results. Procedures below are adapted from various other lab sources. '''Step 0: Source the environment and copy over relevant files''' '''Step 1: Interaction fingerprinting''' '''Step 2: Novelty filtering''' I've been making use of Olivier's method for novelty, which can be Olivier's way of computin..."
- 18:0818:08, 19 September 2024 diff hist +146 m User:Zdingman No edit summary current
13 June 2024
- 20:4820:48, 13 June 2024 diff hist +428 User:Zdingman Beginning a section of conceptual papers that have shaped my attitude towards research. Will add more.
- 20:3320:33, 13 June 2024 diff hist 0 m Dockopt (pydock3 script) Corrected the flag --job_dir_name to --job_dir_path per the dockopt new help page.