Commits · 9f3dc95ba17b4f1d1e8246e36e8899e5bfb00b1a · 钟慕尧 / deepchem · GitLab

Gitlab 现已全面支持 git over ssh 与 git over https。通过 HTTPS 访问请配置带有 read_repository / write_repository 权限的 Personal access token。通过 SSH 端口访问请使用 22 端口或 13389 端口。如果使用CAS注册了账户但不知道密码，可以自行至设置中更改；如有其他问题，请发邮件至 service@cra.moe 寻求协助。

Apr 16, 2021
- Adding essential Molecular Utils · 9f3dc95b
  VIGNESHinZONE authored Apr 16, 2021
  
  9f3dc95b
Apr 14, 2021
- Merge pull request #2466 from PascalIversen/master · 9de39778
  Bharath Ramsundar authored Apr 13, 2021
  9de39778
- Merge pull request #2473 from atreyamaj/atreya · 2e4b30fc
  Bharath Ramsundar authored Apr 13, 2021
  2e4b30fc
- Fixed Graph Convolution Featurizers - MolGanFeaturizer · c9b2d3ff
  Atreya Majumdar authored Apr 13, 2021
  
  c9b2d3ff
Apr 13, 2021
- Merge pull request #2471 from alat-rights/patch-1 · 2c0d75df
  Bharath Ramsundar authored Apr 12, 2021
  2c0d75df
- Updated release note · 0412c1dc
  alat-rights authored Apr 13, 2021
  
  0412c1dc
- Updated · f7c89198
  alat-rights authored Apr 13, 2021
  
  f7c89198
- Merge pull request #2460 from JainSamyak8840/master · 8eb7b764
  Bharath Ramsundar authored Apr 12, 2021
  8eb7b764
- Merge pull request #2469 from alat-rights/master · 70a132de
  Bharath Ramsundar authored Apr 12, 2021
  70a132de
Apr 12, 2021
- Added updating website to release instructions · c67bb40d
  alat-rights authored Apr 12, 2021
  
  c67bb40d
Apr 08, 2021
- add img_size parameter to ChemCeption model · 3ca99af3
  Pascal authored Apr 08, 2021
  
  3ca99af3
- Merge pull request #1 from deepchem/master · e422b9b8
  Pascal authored Apr 08, 2021
  e422b9b8
Apr 07, 2021
- Merge pull request #2442 from PascalIversen/master · ab5fa059
  Bharath Ramsundar authored Apr 06, 2021
  ab5fa059
- Merge pull request #2462 from mufeili/fix_molnet · 3b892827
  Bharath Ramsundar authored Apr 06, 2021
  3b892827
- Merge pull request #2446 from NinadBhat/issue_2067_sdf_loader_zip_files · 374cec58
  Bharath Ramsundar authored Apr 06, 2021
  374cec58
Apr 06, 2021
- Run all tests even if some fail (#2461) · a834e726
  Peter Eastman authored Apr 06, 2021
  a834e726
- Merge pull request #2458 from alat-rights/onehot · e613643b
  Bharath Ramsundar authored Apr 05, 2021
  e613643b
Apr 03, 2021
- Merge pull request #2463 from peastman/pearson · 361207f8
  Peter Eastman authored Apr 02, 2021
  361207f8
- Remove trailing whitespace in comments, flake8. · 198233c2
  alat-rights authored Apr 03, 2021
  
  198233c2
- Further clarification on the comment · 820574c4
  alat-rights authored Apr 03, 2021
  
  820574c4
- Modified comment on one_hot according to Peter's suggestion · 86e19cbc
  alat-rights authored Apr 03, 2021
  
  86e19cbc
- Slight edit to unit tests for clarity · 5943f0ab
  alat-rights authored Apr 03, 2021
  
  5943f0ab
- Fixed typo, 'smile' -> 'SMILES' · 947e2b69
  alat-rights authored Apr 03, 2021
  
  947e2b69
- Merge pull request #2445 from seyonechithrananda/chemberta-tutorial · a3c3874c
  Bharath Ramsundar authored Apr 02, 2021
  a3c3874c
Apr 02, 2021
- Changed parent class to Featurizer · 5f649d9f
  alat-rights authored Apr 02, 2021
  
  5f649d9f
- Fixed docstring · 80ba9072
  Peter Eastman authored Apr 01, 2021
  
  80ba9072
- Fixed error in computing Pearson correlation coefficient · 0f972098
  Peter Eastman authored Apr 01, 2021
  
  0f972098
- Update clearance_datasets.py · 2ff85193
  Mufei Li authored Apr 02, 2021
  
  2ff85193
- Update hppb_datasets.py · b9c1fb38
  Mufei Li authored Apr 02, 2021
  
  b9c1fb38
- Merge pull request #5 from deepchem/master · 6aad136f
  Mufei Li authored Apr 02, 2021
  6aad136f
Apr 01, 2021
- Fixed stylistic problems suggested by Bharath · 285bc538
  alat-rights authored Apr 01, 2021
  
  285bc538
- Documentation change · 22933d68
  alat-rights authored Apr 01, 2021
  
  22933d68
- Minor bug fix · 77695d5f
  alat-rights authored Apr 01, 2021
  
  77695d5f
- Reintroduced method for backwards compatibility · 66389eca
  alat-rights authored Apr 01, 2021
  
  66389eca
- Completed one more test case for correct transformation, passing · 2de60188
  alat-rights authored Apr 01, 2021
  
  2de60188
- Merge branch 'onehot' of https://github.com/alat-rights/deepchem into onehot · cf12dbca
  alat-rights authored Apr 01, 2021
  
  cf12dbca
- Minor formatting changes · 45009705
  alat-rights authored Apr 01, 2021
  
  45009705
- Minor formatting changes · 65a047ab
  alat-rights authored Apr 01, 2021
  
  65a047ab
- Bug fix for test cases on arbitrary strings, now passing. · 204bab59
  alat-rights authored Apr 01, 2021
  
  204bab59
Mar 31, 2021
- Updates listed in the PR. Also, bug fixes. · d214cfe3
  alat-rights authored Mar 31, 2021
  
  d214cfe3

CRA Git | Maintained and supported by SUSTech CRA and CCSE