Commits · 3c09decab57882d159114bcc93d6d6cbdcc1ce0c · Packages / chemical_checker

11 Feb, 2021 11 commits
- admin scripts · 3c09deca
  sbnb-adm authored Feb 11, 2021
  
  3c09deca
- admin cc scripts · 6764e19b
  nsoler authored Feb 11, 2021
  
  6764e19b
- admin cc scripts · 1357cf87
  nsoler authored Feb 11, 2021
  
  1357cf87
- admin cc scripts · 81ac94ff
  nsoler authored Feb 11, 2021
  
  81ac94ff
- admin cc scripts · 40a77a71
  nsoler authored Feb 11, 2021
  
  40a77a71
- admin cc scripts · c8ed0dd7
  nsoler authored Feb 11, 2021
  
  c8ed0dd7
- admin cc scripts · 7eb3d3b9
  nsoler authored Feb 11, 2021
  
  7eb3d3b9
- Merge branch 'master' of http://gitlabsbnb.irbbarcelona.org/packages/chemical_checker · 385e84e0
  nsoler authored Feb 11, 2021
  
  385e84e0
- admin cc scripts · 411cec5d
  nsoler authored Feb 11, 2021
  
  411cec5d
- admin cc scripts · e584e519
  nsoler authored Feb 11, 2021
  
  e584e519
- removing not needed file · 067311a9
  Martino Bertoni authored Feb 08, 2021
  
  067311a9
10 Feb, 2021 4 commits
- little fix · 2d7769ec
  nsoler authored Feb 10, 2021
  
  2d7769ec
- fixed file exists error · c72a7c3a
  nsoler authored Feb 10, 2021
  
  c72a7c3a
- trying to import sign via symlinks · f4781c57
  nsoler authored Feb 10, 2021
  
  f4781c57
- trying to import sign via symlinks · 46260867
  nsoler authored Feb 10, 2021
  
  46260867
09 Feb, 2021 1 commit
- progress on predicting sign1 for A spaces · 47fced57
  nsoler authored Feb 09, 2021
  
  47fced57
08 Feb, 2021 4 commits
- export_feature function for sign0 · 54b94867
  nsoler authored Feb 08, 2021
  
  54b94867
- export_feature function for sign0 · 969237b9
  nsoler authored Feb 08, 2021
  
  969237b9
- export_feature function for sign0 · a77b6e64
  nsoler authored Feb 08, 2021
  
  a77b6e64
- added Luciferase bioassay · dd506a3c
  Martino Bertoni authored Feb 08, 2021
  
  dd506a3c
07 Feb, 2021 2 commits
- progress on predicting sign1 for A spaces · 7265cb47
  nsoler authored Feb 07, 2021
  
  7265cb47
- Merge branch 'master' of http://gitlabsbnb.irbbarcelona.org/packages/chemical_checker · 75f8e5f4
  nsoler authored Feb 07, 2021
  
  75f8e5f4
03 Feb, 2021 4 commits
- trying to predict sign1 · 919fa540
  nsoler authored Feb 03, 2021
  
  919fa540
- predictsign1 · d22def42
  nsoler authored Feb 03, 2021
  
  d22def42
- Merge branch 'master' of gitlabsbnb.irbbarcelona.org:packages/chemical_checker · b73057aa
  nsoler authored Feb 03, 2021
  
  b73057aa
- sign2_list in plot_subsample sign3.py · c1c42dc5
  nsoler authored Feb 03, 2021
  
  c1c42dc5
02 Feb, 2021 1 commit
- fixed data calculator · b4404f1a
  nsoler authored Feb 02, 2021
  
  b4404f1a
01 Feb, 2021 1 commit
- changes in Aspace_calculator · 2dc18b84
  nsoler authored Feb 01, 2021
  
  2dc18b84
31 Jan, 2021 2 commits
- calculate_A_spaces.py · 08b84475
  nsoler authored Jan 31, 2021
  
  08b84475
- calculate_A_spaces.py · ac0cddb3
  nsoler authored Jan 31, 2021
  
  ac0cddb3
28 Jan, 2021 5 commits
- Merge branch 'master' of http://gitlabsbnb.irbbarcelona.org/packages/chemical_checker · ab6b69a9
  nsoler authored Jan 28, 2021
  
  ab6b69a9
- Aspaces_prop_calculator class to calculate sign h5 for out of universe inchikeys · b04a5791
  nsoler authored Jan 28, 2021
  
  b04a5791
- added fix for training MFP signaturizers · 9811d63c
  Martino Bertoni authored Jan 28, 2021
  
  9811d63c
- added argument for reordering MFP at predict time · 44ed8527
  Martino Bertoni authored Jan 28, 2021
  
  44ed8527
- added arguments for skipping tasks · 3590858b
  Martino Bertoni authored Jan 28, 2021
  
  3590858b
27 Jan, 2021 1 commit
- preparing a wrapper to get all sign0 from molecules absent from CC repo · 7e714bf6
  nsoler authored Jan 27, 2021
  
  7e714bf6
26 Jan, 2021 1 commit
- Function copy_filter_signature_from in cc · ce04ec41
  nsoler authored Jan 26, 2021
  
  ce04ec41
25 Jan, 2021 3 commits
- filter copy signature data from cc · 018f1d9d
  nsoler authored Jan 25, 2021
  
  018f1d9d
- script to export all signs at once · 4aea4768
  nsoler authored Jan 25, 2021
  
  4aea4768
- script to export all signs at once · 854f2022
  nsoler authored Jan 25, 2021
  
  854f2022