https://github.com/muammar/ml4chem
Revision 329b12ca954f8c101922a443b30c7fc3b40e3d29 authored by Muammar El Khatib on 01 June 2020, 23:51:19 UTC, committed by Muammar El Khatib on 01 June 2020, 23:51:19 UTC
* master: (51 commits) Support of different cutoff radius for radial/angular symmetry functions. New improvements to AEV class and documentation. Started documentation of G2 in AEV, and removed pip from readthedocs. Some more changes related to rdt. Improvements in documentations and new AEV features class. Mocking more modules and fixed typo in documentation. These changes might improve the readthedocs build. Improvements to documentation. Improving documentation. Update README.md Added ChemrXiv bibtex Fix DeepLearningModel base and rerun some of the examples. General improvements. Bump version to dev mode. Revert "Update conf.py with MagicMock" Update conf.py with MagicMock New general improvements. General improvements. `plot_atomic_features` supports now backend keyword arguments New `backend_kwargs` keyword argument for plot_atomic_features. ...
Tip revision: 329b12ca954f8c101922a443b30c7fc3b40e3d29 authored by Muammar El Khatib on 01 June 2020, 23:51:19 UTC
Merge branch 'master' into active_learning
Merge branch 'master' into active_learning
Tip revision: 329b12c
| File | Mode | Size |
|---|---|---|
| bin | ||
| docs | ||
| examples | ||
| ml4chem | ||
| .gitignore | -rw-r--r-- | 75 bytes |
| .travis.yml | -rw-r--r-- | 658 bytes |
| LICENSE | -rw-r--r-- | 2.4 KB |
| README.md | -rw-r--r-- | 4.4 KB |
| readthedocs.yml | -rw-r--r-- | 121 bytes |
| requirements.txt | -rw-r--r-- | 131 bytes |
| setup.py | -rw-r--r-- | 1.4 KB |
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