Commits · master · pma / chemo_sanitizer

03 Nov, 2020 1 commit
- updating stereocounter to remove uncalculated romol objects · 1d9e1741
  pma authored Nov 03, 2020
  
  1d9e1741
02 Nov, 2020 2 commits
- updating readme · de362a81
  pma authored Nov 02, 2020
  
  de362a81
- updating the mess · 2ebeb4bb
  pma authored Nov 02, 2020
  
  2ebeb4bb
06 Oct, 2020 3 commits
- reorganizing the structure of the repo · fd596f8c
  pma authored Oct 06, 2020
  
  fd596f8c
- updated setup.py · 80592d17
  pma authored Oct 06, 2020
  
  80592d17
- adding the __main__ statement · 15f0b3d7
  pma authored Oct 06, 2020
  
  15f0b3d7
05 Oct, 2020 4 commits
- dl url to setup.py · f935fd3c
  pma authored Oct 05, 2020
  
  f935fd3c
- description file · 5af7ad2d
  pma authored Oct 05, 2020
  
  5af7ad2d
- env mod · 9f048f52
  pma authored Oct 05, 2020
  
  9f048f52
- formatting for pypi distrib · 2b7b4946
  pma authored Oct 05, 2020
  
  2b7b4946
03 Jul, 2020 1 commit
- up chemosan functions · 8246920a
  pma authored Jul 03, 2020
  
  8246920a
26 Jun, 2020 1 commit
- zipping the shit · 141c3957
  pma authored Jun 26, 2020
  
  141c3957
09 Jun, 2020 11 commits
- limits · 8ca1bb76
  pma authored Jun 09, 2020
  
  8ca1bb76
- IK securised function · 6c951d6b
  pma authored Jun 09, 2020
  
  6c951d6b
- Add LICENSE · 4ae4119a
  pma authored Jun 09, 2020
  
  4ae4119a
- mod gitignore · c0a615cf
  pma authored Jun 09, 2020
  
  c0a615cf
- remooving vscode and add gitignore · 2732ac35
  pma authored Jun 09, 2020
  
  2732ac35
- role · 060ec536
  pma authored Jun 09, 2020
  
  060ec536
- path mod · 55037492
  pma authored Jun 09, 2020
  
  55037492
- up readme · f495401c
  pma authored Jun 09, 2020
  
  f495401c
- updated readme and rm draft.py · bac6fc43
  pma authored Jun 09, 2020
  
  bac6fc43
- additional print statement · 60d1a237
  pma authored Jun 09, 2020
  
  60d1a237
- remooving intermediate ROMol for memory opt · e79920fc
  pma authored Jun 09, 2020
  
  e79920fc
08 Jun, 2020 4 commits
- now fully parralelized · 8a699732
  pma authored Jun 08, 2020
  
  8a699732
- tqdm rem · f9936fcf
  pma authored Jun 08, 2020
  
  f9936fcf
- first commit · f23afc6b
  pma authored Jun 08, 2020
  
  f23afc6b
- Initial commit · d7f43eab
  pma authored Jun 08, 2020
  
  d7f43eab