Commits · 27b2cbf5ce3607f3b595e86005d60dd7280d52ad · jdurrant / deepfrag

05 Jan, 2021 2 commits
- Added license, other markdown documents. · 27b2cbf5
  jdurrant authored Jan 05, 2021
  
  27b2cbf5
- Removed javascript_grid_gen directory. · 9cf3ee83
  jdurrant authored Jan 05, 2021
  
  9cf3ee83
04 Jan, 2021 1 commit
- update links · 66923e01
  hgarrereyn authored Jan 04, 2021
  
  66923e01
15 Dec, 2020 2 commits
- add moad_partitions · fc6d92eb
  hgarrereyn authored Dec 14, 2020
  
  fc6d92eb
- misc updates · 778c3ec1
  hgarrereyn authored Dec 14, 2020
  
  778c3ec1
11 Nov, 2020 1 commit
- add moad parsing scripts · d958ceca
  hgarrereyn authored Nov 11, 2020
  
  d958ceca
21 Oct, 2020 1 commit
- Optimized python code for javascript transpilation. · 53832013
  jdurrant authored Oct 21, 2020
  
  53832013
20 Oct, 2020 3 commits
- js gridder fixes · 9399243e
  hgarrereyn authored Oct 20, 2020
  
  9399243e
- Merge branch 'master' of https://git.durrantlab.pitt.edu/hgarrereyn/moiety_predictor · d1cbd5c8
  hgarrereyn authored Oct 20, 2020
  
  d1cbd5c8
- switch to use atom typers · 83b3c537
  hgarrereyn authored Oct 20, 2020
  
  83b3c537
17 Oct, 2020 1 commit
- Updates to javascript version. · bbd77c31
  jdurrant authored Oct 17, 2020
  
  bbd77c31
11 Sep, 2020 1 commit
- Minor update. · 6ee2d41c
  Jacob Durrant authored Sep 11, 2020
  
  6ee2d41c
10 Sep, 2020 1 commit
- Update javascript grid code. · 3631e208
  Jacob Durrant authored Sep 10, 2020
  
  3631e208
04 Sep, 2020 1 commit
- Added javascript-relevant code. · 1d695d4d
  Jacob Durrant authored Sep 04, 2020
  
  1d695d4d
25 Aug, 2020 1 commit
- metric improvements, add config files · c70e2963
  hgarrereyn authored Aug 25, 2020
  
  c70e2963
13 Aug, 2020 1 commit
- fix normalization issue with metrics · d26f81d2
  hgarrereyn authored Aug 13, 2020
  
  d26f81d2
08 Aug, 2020 1 commit
- simplify metric tracking, add inside_support metric · 02de11c6
  hgarrereyn authored Aug 08, 2020
  
  02de11c6
07 Aug, 2020 2 commits
- add requirements.txt · 2608cb67
  hgarrereyn authored Aug 07, 2020
  
  2608cb67
- large refactor · 77411954
  hgarrereyn authored Aug 07, 2020
  
  77411954
14 Jul, 2020 1 commit
- work dump, add onnx stuff · 38b5cee4
  hgarrereyn authored Jul 14, 2020
  
  38b5cee4
09 May, 2020 1 commit
- add topk acc metrics, refactor model, support expanded label training · 1c333a36
  Harrison Green authored May 08, 2020
  
  1c333a36
07 May, 2020 4 commits
- Merge branch 'master' of https://git.durrantlab.pitt.edu/hgarrereyn/moiety_predictor · 5b57c647
  Harrison Green authored May 07, 2020
  
  5b57c647
- reset · 02a6ae94
  Harrison Green authored May 07, 2020
  
  02a6ae94
- reset · d3152db1
  Harrison Green authored May 07, 2020
  
  d3152db1
- init · 78833f06
  Harrison Green authored May 07, 2020
  
  78833f06
06 Dec, 2018 1 commit
- gpu grid generation + rotation/translation · 0b5a2a23
  Harrison Green authored Dec 06, 2018
  
  0b5a2a23
24 Oct, 2018 1 commit
- initial code dump · 6f845986
  Harrison Green authored Oct 24, 2018
  
  6f845986