Commits · b0eec7cb0f5c49abc4e6fbac6c0243ca83f1c2e9 · Packages / chemical_checker · GitLab

14 Oct, 2021 1 commit
- Sign0 fit method parametrization; small fixes to diagnostics tasks · b0eec7cb
  mlocatelli authored Oct 14, 2021
  
  b0eec7cb
08 Oct, 2021 6 commits
- Preprocess save_output: fixing error in create_dataset · 001b0c2b
  Martina Locatelli authored Oct 08, 2021
  
  001b0c2b
- Merge branch 'master' of http://gitlabsbnb.irbbarcelona.org/packages/chemical_checker · 65ff5a39
  Martina Locatelli authored Oct 08, 2021
  
  65ff5a39
- adapted to pass kwargs correctly to sign2 · f92ac79e
  Martino Bertoni authored Oct 08, 2021
  
  f92ac79e
- moved parameters to fit kwargs · 8dfbcf5f
  Martino Bertoni authored Oct 08, 2021
  
  8dfbcf5f
- metric learning to false by default · 8fa3391c
  Martino Bertoni authored Oct 08, 2021
  
  8fa3391c
- minor log fix · 1c41a8e9
  Martino Bertoni authored Oct 08, 2021
  
  1c41a8e9
07 Oct, 2021 6 commits
- Merge branch 'master' of http://gitlabsbnb.irbbarcelona.org/packages/chemical_checker · 1bfdecff
  Martina Locatelli authored Oct 07, 2021
  
  1bfdecff
- Reducing max_features parameter to 10000; small preprocess fix · 62a783a6
  Martina Locatelli authored Oct 07, 2021
  
  62a783a6
- passing arguments to classes used in sign1.fit · 61c80cea
  Martino Bertoni authored Oct 07, 2021
  
  61c80cea
- improved log and docs · 3c9155e0
  Martino Bertoni authored Oct 07, 2021
  
  3c9155e0
- improved log and docs · 5d2dbc20
  Martino Bertoni authored Oct 07, 2021
  
  5d2dbc20
- improved log and docs · a691e2de
  Martino Bertoni authored Oct 07, 2021
  
  a691e2de
06 Oct, 2021 2 commits
- reset connectivity.py to b9956c1e · 931b9688
  Martino Bertoni authored Oct 06, 2021
  
  931b9688
- fix for D1 connecttivity · f7018803
  Martino Bertoni authored Oct 06, 2021
  
  f7018803
05 Oct, 2021 5 commits
- Fixing merge conflicts · 8e318986
  Martina Locatelli authored Oct 05, 2021
  
  8e318986
- Passing optional parameters to preprocess script (D1 space necessity) · f307e448
  Martina Locatelli authored Oct 05, 2021
  
  f307e448
- reverting changes to database · 774b721d
  Martino Bertoni authored Oct 05, 2021
  
  774b721d
- Diagnostics run separately after each signature calculation · 6493c9ca
  Martina Locatelli authored Oct 05, 2021
  
  6493c9ca
- removed user input when symlinkink to external signature repository, removed un-used method · c02080f4
  Martino Bertoni authored Oct 05, 2021
  
  c02080f4
04 Oct, 2021 6 commits
- fixing logs · b29a4af1
  Martino Bertoni authored Oct 04, 2021
  
  b29a4af1
- at sign3 fit if possible complete universe with chemistry level signatures computing them · 25909508
  Martino Bertoni authored Oct 04, 2021
  
  25909508
- better logging · f3666f7e
  Martino Bertoni authored Oct 04, 2021
  
  f3666f7e
- harmonizing signatures predict methods, fixed small bugs · 46ab7a64
  Martino Bertoni authored Oct 04, 2021
  
  46ab7a64
- fixing logging · 1d6e0ec1
  Martino Bertoni authored Oct 04, 2021
  
  1d6e0ec1
- fixing logging · 7ec86f62
  Martino Bertoni authored Oct 04, 2021
  
  7ec86f62
30 Sep, 2021 7 commits
- enforcing PEP8 · ca39e31b
  Martino Bertoni authored Sep 30, 2021
  
  ca39e31b
- enforcing PEP8 · 209c2ddd
  Martino Bertoni authored Sep 30, 2021
  
  209c2ddd
- minor optimization of old D1 connectivity · 24a33f4c
  Martino Bertoni authored Sep 30, 2021
  
  24a33f4c
- fixed all chemistry predict methods which had a problem with features, harmonized scripts · d9b7d7e2
  Martino Bertoni authored Sep 30, 2021
  
  d9b7d7e2
- handling case when predict is called with data file, raw_keys are equal to keys · 8e0a791e
  Martino Bertoni authored Sep 30, 2021
  
  8e0a791e
- better docs and logs · 8821c208
  Martino Bertoni authored Sep 30, 2021
  
  8821c208
- better docs and logs · 1e4ec59e
  Martino Bertoni authored Sep 30, 2021
  
  1e4ec59e
28 Sep, 2021 3 commits
- feature should be decoded and passed as a list · b8858d69
  Martino Bertoni authored Sep 28, 2021
  
  b8858d69
- added entry_point argument for predict method, added docs for save_output · d3320200
  Martino Bertoni authored Sep 28, 2021
  
  d3320200
- removing unused script · ae898864
  Martino Bertoni authored Sep 28, 2021
  
  ae898864
23 Sep, 2021 3 commits
- smaller chunksize for memory safe LSI on C5 · aef3933e
  Martino Bertoni authored Sep 23, 2021
  
  aef3933e
- better log messages · b20048e7
  Martino Bertoni authored Sep 23, 2021
  
  b20048e7
- faster sign0 to sign1 copy · d9d512c2
  Martino Bertoni authored Sep 23, 2021
  
  d9d512c2
17 Sep, 2021 1 commit
- Fixing connectivity script for D1 space · b9956c1e
  Martina Locatelli authored Sep 17, 2021
  
  b9956c1e