Commits · d7f06c7c8aee5f1a925448f42f1a63aac97bba3e · Packages / chemical_checker

10 Sep, 2021 1 commit
- Fixes to D1 preprocess; small adaptation of create_database.py script · d7f06c7c
  Martina Locatelli authored Sep 10, 2021
  
  d7f06c7c
06 Sep, 2021 3 commits
- Merge branch 'master' of http://gitlabsbnb.irbbarcelona.org/packages/chemical_checker · 3e6029f5
  Martina Locatelli authored Sep 06, 2021
  
  3e6029f5
- Fixing some paths in D1 preprocess · 0a4271d3
  Martina Locatelli authored Sep 06, 2021
  
  0a4271d3
- getting rid of the imp library for the newer importlib · 967767a6
  Martino Bertoni authored Sep 06, 2021
  
  967767a6
01 Sep, 2021 6 commits
- Small fix to a molrepo file extension and molrepo tables data · cf68c20b
  Martina Locatelli authored Sep 01, 2021
  
  cf68c20b
- handling kegg exception · c7ad25b6
  Martino Bertoni authored Sep 01, 2021
  
  c7ad25b6
- adding molecule and molrepo_has_molecule to the CC DB · 5534b05b
  Martina Locatelli authored Sep 01, 2021
  
  5534b05b
- create_database script and files · 018f2c63
  Martina Locatelli authored Sep 01, 2021
  
  018f2c63
- fixed adanet unittests · 9e6fff3b
  Martino Bertoni authored Sep 01, 2021
  
  9e6fff3b
- fixing gensim version until compatible with nummpy 1.19.2 · 9a070ef5
  Martino Bertoni authored Sep 01, 2021
  
  9a070ef5
31 Aug, 2021 7 commits
- test removing explicit keras installation · 40f3c645
  Martino Bertoni authored Aug 31, 2021
  
  40f3c645
- fixing tensorflow version, adding graphviz · 434e8792
  Martino Bertoni authored Aug 31, 2021
  
  434e8792
- fixed parser unit test (lincs data updated) and some warnings · 1ca95ae8
  Martino Bertoni authored Aug 31, 2021
  
  1ca95ae8
- switching to ChEMBL standardization pipeline · 3f127d40
  Martino Bertoni authored Aug 31, 2021
  
  3f127d40
- setting rdkit logging level · eb337884
  Martino Bertoni authored Aug 31, 2021
  
  eb337884
- updated parser for new lincs version · 89b130b8
  Martino Bertoni authored Aug 31, 2021
  
  89b130b8
- fixing db relationships · e70eb488
  Martino Bertoni authored Aug 31, 2021
  
  e70eb488
30 Aug, 2021 3 commits
- Sign0: check on the preprocess data format · 9d618cee
  Martina Locatelli authored Aug 30, 2021
  
  9d618cee
- D1 preprocess: new data; C2 preprocess: fix for deprecated property; D2... · 349b9a23
  Martina Locatelli authored Aug 30, 2021
```
D1 preprocess: new data; C2 preprocess: fix for deprecated property; D2 preprocess: xlsx file as datasource
```
  349b9a23
- Merge branch 'master' of http://gitlabsbnb.irbbarcelona.org/packages/chemical_checker · 77d2404a
  Martina Locatelli authored Aug 30, 2021
  
  77d2404a
27 Aug, 2021 1 commit
- memory safer way to check for nan or inf in huge matrix · 9ed804a1
  Martino Bertoni authored Aug 27, 2021
  
  9ed804a1
24 Aug, 2021 2 commits
- Merge branch 'master' of http://gitlabsbnb.irbbarcelona.org/packages/chemical_checker · 28f6c832
  Martina Locatelli authored Aug 24, 2021
  
  28f6c832
- removed dependency that was merged to sklearn · 74db352e
  Martino Bertoni authored Aug 24, 2021
  
  74db352e
20 Aug, 2021 1 commit
- Correcting create_dataset from bytes to strings · d2ec7625
  Martina Locatelli authored Aug 20, 2021
  
  d2ec7625
19 Aug, 2021 3 commits
- embeddings are coherent between reference and full in sign2 · 5299c569
  Martino Bertoni authored Aug 19, 2021
  
  5299c569
- re-enabling plots for adanet results · f84f8120
  Martino Bertoni authored Aug 19, 2021
  
  f84f8120
- changed default activation function to tanh · 02d1db1c
  Martino Bertoni authored Aug 19, 2021
  
  02d1db1c
18 Aug, 2021 4 commits
- Correcting None node error in networkX · 0ba9f83e
  Martina Locatelli authored Aug 18, 2021
  
  0ba9f83e
- more memory for cc mini sign1 · d95a4654
  Martino Bertoni authored Aug 18, 2021
  
  d95a4654
- fix for adanet, using tf layers instead of keras one · 7d333881
  Martino Bertoni authored Aug 18, 2021
  
  7d333881
- preprocess fuction call was missing in case of no input in sign0.fit, added... · 470638c0
  Martino Bertoni authored Aug 18, 2021
```
preprocess fuction call was missing in case of no input in sign0.fit, added call, relocated preprocess function to preprocess class as classmethods
```
  470638c0
17 Aug, 2021 2 commits
- Merge branch 'master' of http://gitlabsbnb.irbbarcelona.org/packages/chemical_checker · 0a1a16a2
  Martina Locatelli authored Aug 17, 2021
  
  0a1a16a2
- Interactive shell for cluster jobs; validation set hierarchy tree bug; tuple... · 0ad86a40
  Martina Locatelli authored Aug 17, 2021
```
Interactive shell for cluster jobs; validation set hierarchy tree bug; tuple of arguments for datasource
```
  0ad86a40
13 Aug, 2021 1 commit
- D1 space pipeline integration · 5b4813b3
  Martina Locatelli authored Aug 13, 2021
  
  5b4813b3
12 Aug, 2021 1 commit
- getting rid of warnings · 33c07f22
  Martino Bertoni authored Aug 12, 2021
  
  33c07f22
11 Aug, 2021 2 commits
- fixed error in producing images · 0fbeb46b
  Martino Bertoni authored Aug 11, 2021
  
  0fbeb46b
- added option to specify steps per epoch, fixed some warnings · f4b15a94
  Martino Bertoni authored Aug 11, 2021
  
  f4b15a94
10 Aug, 2021 3 commits
- SNN redict: first scale then trim · ed8949b3
  Martino Bertoni authored Aug 10, 2021
  
  ed8949b3
- update singularity install section · 9bd4b674
  Martino Bertoni authored Aug 10, 2021
  
  9bd4b674
- removed unused imports · 23ad74f1
  Martino Bertoni authored Aug 10, 2021
  
  23ad74f1