User contributions for Ianscottknight
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9 February 2024
- 20:1220:12, 9 February 2024 diff hist +56 Calculate ECFP4 using RDKit No edit summary current
- 20:1120:11, 9 February 2024 diff hist +2 Calculate ECFP4 using RDKit No edit summary
- 20:1120:11, 9 February 2024 diff hist +284 N Calculate ECFP4 using RDKit Created page with "1. git clone https://github.com/docking-org/ChemInfTools.git 2. Ensure that you have sourced a python3 environment E.g., source /nfs/soft/ian/python3.8.5.sh 3. python ChemInfTools/utils/teb_chemaxon_cheminf_tools/generate_chemaxon_fingerprints_py3.py <SMILES_FILE> <OUTFILE_PREFIX>"
1 February 2024
- 19:5419:54, 1 February 2024 diff hist 0 Dockopt (pydock3 script) No edit summary current
26 January 2024
- 22:5522:55, 26 January 2024 diff hist +2 DOCK 3.8:How to build a release No edit summary
- 08:4708:47, 26 January 2024 diff hist +229 DOCK 3.8:How to build a release No edit summary
- 08:0808:08, 26 January 2024 diff hist +137 DOCK 3.8:How to build a release No edit summary
- 07:4707:47, 26 January 2024 diff hist +356 DOCK 3.8:How to build a release No edit summary
28 December 2023
- 02:5902:59, 28 December 2023 diff hist +159 SUBDOCK DOCK3.8 →What's New? current
12 December 2023
- 07:4907:49, 12 December 2023 diff hist −3 Blastermaster (pydock3 script) No edit summary
2 September 2023
- 04:3504:35, 2 September 2023 diff hist −94 Dockopt (pydock3 script) No edit summary
29 August 2023
- 20:2520:25, 29 August 2023 diff hist +115 TLDR:decoygen No edit summary current
- 20:1620:16, 29 August 2023 diff hist +27 N TLDR:dude-z Ianscottknight moved page TLDR:dude-z to TLDR:decoygen: Naming the decoy generation pipeline `dude-z` doesn't really make sense given that DUDE-Z is a dataset. I am guessing that the original logic behind this was that the pipeline was used to help create DUDE-Z. Still, the data types `pipeline` and `dataset` are distinct, therefore justifying this name change. current Tag: New redirect
- 20:1620:16, 29 August 2023 diff hist 0 m TLDR:decoygen Ianscottknight moved page TLDR:dude-z to TLDR:decoygen: Naming the decoy generation pipeline `dude-z` doesn't really make sense given that DUDE-Z is a dataset. I am guessing that the original logic behind this was that the pipeline was used to help create DUDE-Z. Still, the data types `pipeline` and `dataset` are distinct, therefore justifying this name change.
24 August 2023
- 01:5101:51, 24 August 2023 diff hist +11 DOCK3.8:Pydock3 No edit summary current
- 01:4601:46, 24 August 2023 diff hist +22 DOCK3.8:Pydock3 No edit summary
- 01:4401:44, 24 August 2023 diff hist +12 N File:Pydock3 logo.png No edit summary current
27 July 2023
- 22:3122:31, 27 July 2023 diff hist +2 Dockopt (pydock3 script) No edit summary
9 June 2023
- 18:5218:52, 9 June 2023 diff hist −3 Blastermaster (pydock3 script) No edit summary
5 June 2023
- 19:1519:15, 5 June 2023 diff hist −107 Dockopt (pydock3 script) No edit summary