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Initial public release
Coauthored with Matti Hellström, Pavlin D. Mitev, Lisanne Knijff and Chao Zhang
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- .circleci/build_doc.sh 34 additions, 0 deletions.circleci/build_doc.sh
- .circleci/config.yml 72 additions, 0 deletions.circleci/config.yml
- .coveragerc 0 additions, 0 deletions.coveragerc
- .gitignore 10 additions, 0 deletions.gitignore
- .readthedocs.yml 16 additions, 0 deletions.readthedocs.yml
- Dockerfile 13 additions, 0 deletionsDockerfile
- Dockerfile-gpu 13 additions, 0 deletionsDockerfile-gpu
- LICENSE 30 additions, 0 deletionsLICENSE
- README.rst 103 additions, 0 deletionsREADME.rst
- doc/Makefile 20 additions, 0 deletionsdoc/Makefile
- doc/ase.rst 28 additions, 0 deletionsdoc/ase.rst
- doc/conf.py 187 additions, 0 deletionsdoc/conf.py
- doc/datasets.rst 17 additions, 0 deletionsdoc/datasets.rst
- doc/datasets/implemented.rst 70 additions, 0 deletionsdoc/datasets/implemented.rst
- doc/datasets/load_data.rst 50 additions, 0 deletionsdoc/datasets/load_data.rst
- doc/datasets/manipulate_data.rst 58 additions, 0 deletionsdoc/datasets/manipulate_data.rst
- doc/images/barostat_benchmark.png 0 additions, 0 deletionsdoc/images/barostat_benchmark.png
- doc/images/implement.png 0 additions, 0 deletionsdoc/images/implement.png
- doc/images/logo.png 0 additions, 0 deletionsdoc/images/logo.png
- doc/images/networks.png 0 additions, 0 deletionsdoc/images/networks.png
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