https://github.com/muammar/ml4chem
Name Target Message Date
HEAD 365487c Update neuralnetwork.py Create numpy array with dtype=object. 05 April 2021, 17:05:37 UTC
refs/heads/0.1.0 c199cee Blacked and some minimal improvements. 20 May 2023, 18:41:30 UTC
refs/heads/active_learning 329b12c Merge branch 'master' into active_learning * 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. ... 01 June 2020, 23:51:19 UTC
refs/heads/lbfgs cb1c66f LBFGS instead of FullBatchLBFGS. 05 April 2019, 22:37:51 UTC
refs/heads/master 365487c Update neuralnetwork.py Create numpy array with dtype=object. 05 April 2021, 17:05:37 UTC
refs/tags/0.0.1 bc008d9 Black beautification. 03 August 2019, 20:54:59 UTC
refs/tags/0.0.2 2c2a2ae Added `install_requires` to `setup.py`. 03 October 2019, 17:24:47 UTC
refs/tags/0.0.3 e386acd Bump version for minor release. 15 November 2019, 19:32:50 UTC
refs/tags/0.0.4 7dc4c26 Bump for minor release. 27 November 2019, 21:36:41 UTC
refs/tags/0.0.5 a041d4c Preparing new release. - Most of the modules print time when they were accessed. - All features now provide a .to_pandas() method. - Black cleaned. 07 January 2020, 22:34:14 UTC
refs/tags/0.0.6 0a41f49 Use client.submit instead of dask.compute for SVM computations Gaussian. 19 January 2020, 20:29:53 UTC
refs/tags/0.0.7 d4a5d60 Omit version of output packages in requirements.txt 30 January 2020, 05:03:47 UTC
refs/tags/0.0.8 35b3971 New general improvements. - atomistic.models.neuralnetwork: New `get_activations` function to get activations of neural network. - Fixed visualization module. - Updated install site. - Bumbed version for release. 06 March 2020, 17:51:08 UTC
refs/tags/0.0.9 5bc7808 Fix DeepLearningModel base and rerun some of the examples. 07 March 2020, 21:13:26 UTC
back to top