Commits · 647802784e532d1aecd397d1926bb283700e2ddd · Packages / signaturizer

15 Oct, 2020 2 commits
- avoid importing the module in setup.py · 64780278
  Martino Bertoni authored Oct 15, 2020
  
  64780278
- adding speed and installation time in README · 94d7621b
  Martino Bertoni authored Oct 15, 2020
  
  94d7621b
07 Sep, 2020 4 commits
- version update · a7307909
  Martino Bertoni authored Sep 07, 2020
  
  a7307909
- testing GLOBAL fix · 12fe9c0e
  Martino Bertoni authored Sep 07, 2020
  
  12fe9c0e
- fixed GLOBAL model loading · 12af179a
  Martino Bertoni authored Sep 07, 2020
  
  12af179a
- fixed standardization of molecules now converting SMILES to InChI, fixed batch_size bug · 09ef7e48
  Martino Bertoni authored Sep 07, 2020
  
  09ef7e48
20 Aug, 2020 1 commit
- better docstring, cleane setup.py · 5a5b1e1b
  Martino Bertoni authored Aug 20, 2020
  
  5a5b1e1b
19 Aug, 2020 5 commits
- push version up · 63ab0ecf
  Martino Bertoni authored Aug 19, 2020
  
  63ab0ecf
- verbose also affects rdKit verbosity · 86c8438d
  Martino Bertoni authored Aug 19, 2020
  
  86c8438d
- added test for "failed" result attribute · 2a8c83ec
  Martino Bertoni authored Aug 19, 2020
  
  2a8c83ec
- bugfix setting applicability for failed molecules, printing failed molecules,... · dc72a532
  Martino Bertoni authored Aug 19, 2020
```
bugfix setting applicability for failed molecules, printing failed molecules, added failed mask to results
```
  dc72a532
- fixed dependency in setup · 092b3d43
  Martino Bertoni authored Aug 19, 2020
  
  092b3d43
13 Aug, 2020 1 commit
- updated notebook on applicability · 2d1a72fd
  Martino Bertoni authored Aug 13, 2020
  
  2d1a72fd
12 Aug, 2020 1 commit
- push version · 4e396987
  Martino Bertoni authored Aug 12, 2020
  
  4e396987
11 Aug, 2020 8 commits
- python 3.8 is not compatible with older tf versions · fc3ee010
  Martino Bertoni authored Aug 11, 2020
  
  fc3ee010
- fix requirements · 57ce1b5a
  Martino Bertoni authored Aug 11, 2020
  
  57ce1b5a
- only tf1 · 124bc52c
  Martino Bertoni authored Aug 11, 2020
  
  124bc52c
- forcing KeraLayer to be v1 · 896af520
  Martino Bertoni authored Aug 11, 2020
  
  896af520
- try explicit output_key · 01fdaeb5
  Martino Bertoni authored Aug 11, 2020
  
  01fdaeb5
- using tf 2.2.0 · 84ae5862
  Martino Bertoni authored Aug 11, 2020
  
  84ae5862
- removed applicability argument · 74cb307c
  Martino Bertoni authored Aug 11, 2020
  
  74cb307c
- module are now loaded as layers and combined in a new model, much faster · 2bd40a6a
  Martino Bertoni authored Aug 11, 2020
  
  2bd40a6a
23 Jul, 2020 4 commits
- print final warning about NAN predictions · dcde74ef
  Martino Bertoni authored Jul 23, 2020
  
  dcde74ef
- Update README.md · 25c09283
  Martino Bertoni authored Jul 23, 2020
  
  25c09283
- fixed links · c11b9a8a
  Martino Bertoni authored Jul 23, 2020
  
  c11b9a8a
- fixed links · c0c15a7b
  Martino Bertoni authored Jul 23, 2020
  
  c0c15a7b
22 Jul, 2020 6 commits
- updated papers · 53f3382f
  Martino Bertoni authored Jul 22, 2020
  
  53f3382f
- updated papers · 4775a347
  Martino Bertoni authored Jul 22, 2020
  
  4775a347
- updated papers · abaff083
  Martino Bertoni authored Jul 22, 2020
  
  abaff083
- updated papers · 390411f3
  Martino Bertoni authored Jul 22, 2020
  
  390411f3
- updated papers · 590dd4ba
  Martino Bertoni authored Jul 22, 2020
  
  590dd4ba
- updated papers · c87faf49
  Martino Bertoni authored Jul 22, 2020
  
  c87faf49
16 Jul, 2020 2 commits
- updated notebook · 9e1e4265
  Martino Bertoni authored Jul 16, 2020
  
  9e1e4265
- adding version at package level (i.e. signaturizer.__version__ is now available) · 17ac209b
  Martino Bertoni authored Jul 16, 2020
  
  17ac209b
14 Jul, 2020 3 commits
- update package version · c2b71bda
  Martino Bertoni authored Jul 14, 2020
  
  c2b71bda
- setting new default version · 6e32d0b5
  Martino Bertoni authored Jul 14, 2020
  
  6e32d0b5
- fixing unit test, we do not test exporting outside the CC · d85fa00b
  Martino Bertoni authored Jul 14, 2020
  
  d85fa00b
13 Jul, 2020 3 commits
- export batch including applicability · 888d6cb8
  Martino Bertoni authored Jul 13, 2020
  
  888d6cb8
- fixed link · f6629a3f
  Martino Bertoni authored Jul 13, 2020
  
  f6629a3f
- fixed link · 8d7d6201
  Martino Bertoni authored Jul 13, 2020
  
  8d7d6201