User contributions
- 20:30, 21 October 2020 (diff | hist) . . (+493) . . N Calculate RMSD between two sets of molecules (eg, Crystal pose vs. docked pose) (Created page with "10/21/2020 Ying Script to calculate RMSD between two sets of molecules (mol2 format), modified from the openeye rmsd.py (https://docs.eyesopen.com/toolkits/python/_downloads/...") (current)
- 20:22, 21 October 2020 (diff | hist) . . (0) . . Other Useful Stuff (current)
- 20:21, 21 October 2020 (diff | hist) . . (+88) . . Other Useful Stuff
- 21:45, 5 October 2020 (diff | hist) . . (0) . . Another getposes.py (current)
- 21:44, 5 October 2020 (diff | hist) . . (+504) . . Another getposes.py
- 13:54, 5 August 2020 (diff | hist) . . (+65) . . Interaction Filtering (current)
- 13:54, 5 August 2020 (diff | hist) . . (0) . . N File:2d html.png (current)
- 13:52, 5 August 2020 (diff | hist) . . (+1) . . Interaction Filtering
- 13:52, 5 August 2020 (diff | hist) . . (+384) . . Interaction Filtering
- 12:01, 15 May 2020 (diff | hist) . . (-13) . . Torsion against CSD visualize with Maestro (current)
- 11:58, 15 May 2020 (diff | hist) . . (+595) . . Torsion against CSD visualize with Maestro
- 11:48, 15 May 2020 (diff | hist) . . (0) . . N File:Maestro csd pic4.png (current)
- 11:48, 15 May 2020 (diff | hist) . . (0) . . N File:Maestro csd pic3.png (current)
- 11:48, 15 May 2020 (diff | hist) . . (0) . . N File:Maestro csd pic2.png (current)
- 11:48, 15 May 2020 (diff | hist) . . (0) . . N File:Maestro csd pic1.png (current)
- 11:36, 15 May 2020 (diff | hist) . . (+536) . . N Torsion against CSD visualize with Maestro (Created page with "5/15/2020 Ying Besides the automated strain filtering, it's useful to visualize the torsion angle in against CSD. Here's an example of how to do it with Schrodinger tools. ...")
- 09:35, 15 May 2020 (diff | hist) . . (+49) . . DOCK 3.7
- 20:47, 8 May 2020 (diff | hist) . . (+5) . . Another getposes.py
- 20:42, 8 May 2020 (diff | hist) . . (+290) . . Another getposes.py
- 23:03, 19 April 2020 (diff | hist) . . (+22) . . Another getposes.py
- 18:37, 19 April 2020 (diff | hist) . . (+2) . . Another getposes.py
- 18:37, 19 April 2020 (diff | hist) . . (+202) . . Another getposes.py
- 13:26, 31 March 2020 (diff | hist) . . (+42) . . Another getposes.py
- 13:24, 31 March 2020 (diff | hist) . . (+1,972) . . N Another getposes.py (Created page with "3/25/2020 Ying Poses are needed for Shuo's interaction filter and strain filter, sometimes we need to get poses pre-clustering. Owing to the need, here's another get_poses.py...")
- 13:23, 31 March 2020 (diff | hist) . . (-1) . . DOCK 3.7
- 13:22, 31 March 2020 (diff | hist) . . (+1) . . DOCK 3.7
- 13:22, 31 March 2020 (diff | hist) . . (-1) . . DOCK 3.7
- 13:21, 31 March 2020 (diff | hist) . . (0) . . N File:Runtime getposes.png (current)
- 17:19, 25 March 2020 (diff | hist) . . (+1) . . Another get poses.py (current)
- 17:18, 25 March 2020 (diff | hist) . . (+437) . . Bootstrap AUC (current)
- 17:13, 25 March 2020 (diff | hist) . . (+109) . . Bootstrap AUC
- 17:12, 25 March 2020 (diff | hist) . . (0) . . N File:Bootstrap out logAUC.png (current)
- 17:12, 25 March 2020 (diff | hist) . . (0) . . N File:Bootstrap out AUC.png (current)
- 17:09, 25 March 2020 (diff | hist) . . (+1,978) . . Bootstrap AUC
- 16:16, 24 March 2020 (diff | hist) . . (+465) . . Another get poses.py
- 16:03, 24 March 2020 (diff | hist) . . (+485) . . Another get poses.py
- 15:55, 24 March 2020 (diff | hist) . . (+768) . . N Another get poses.py (Created page with "Another get_poses.py script modified on top of getposes_blazing_faster.py from Reed & Trent source /nfs/home/yingyang/.cshrc_opencadd python /nfs/home/yingyang/scripts/get_p...")
- 15:53, 24 March 2020 (diff | hist) . . (+27) . . DOCK 3.7
- 15:20, 25 February 2019 (diff | hist) . . (0) . . File:Variation AUC logAUC.png (Yingyang uploaded a new version of "File:Variation AUC logAUC.png") (current)
- 15:18, 25 February 2019 (diff | hist) . . (+148) . . Bootstrap AUC (→Plot the change(s) in AUC/logAUC against reference score)
- 15:16, 25 February 2019 (diff | hist) . . (0) . . File:Fig compare methods.png (Yingyang uploaded a new version of "File:Fig compare methods.png") (current)
- 15:15, 25 February 2019 (diff | hist) . . (+53) . . Bootstrap AUC (→Plot the change(s) in AUC/logAUC against reference score)
- 15:15, 25 February 2019 (diff | hist) . . (+19) . . Bootstrap AUC (→Plot the variation of AUC/logAUC)
- 15:14, 25 February 2019 (diff | hist) . . (-51) . . Bootstrap AUC (→Plot the variation of AUC/logAUC)
- 15:14, 25 February 2019 (diff | hist) . . (0) . . N File:Fig compare methods.png
- 15:03, 25 February 2019 (diff | hist) . . (0) . . N File:Variation AUC logAUC.png
- 15:03, 25 February 2019 (diff | hist) . . (+1,021) . . N Bootstrap AUC (Created page with "To test whether the difference in AUC/logAUC between two methods is statistically significant or not, AUC/logAUC of the new developed method(s) against the reference method ca...")
- 14:17, 25 February 2019 (diff | hist) . . (+20) . . DOCK 3.7 (→Analysis)
