├── .gitignore ├── .travis.yml ├── LICENSE ├── MANIFEST.in ├── README.md ├── devtools ├── README.md ├── conda-envs │ ├── test_env.yaml │ └── test_no_openforcefield.yaml ├── scripts │ └── create_conda_env.py └── travis-ci │ └── before_install.sh ├── setup.cfg ├── setup.py ├── smirnoff99frosst ├── __init__.py ├── _version.py ├── offxml │ ├── README.md │ ├── smirnoff99Frosst-1.0.0.offxml │ ├── smirnoff99Frosst-1.0.1.offxml │ ├── smirnoff99Frosst-1.0.2.offxml │ ├── smirnoff99Frosst-1.0.3.offxml │ ├── smirnoff99Frosst-1.0.4.offxml │ ├── smirnoff99Frosst-1.0.5.offxml │ ├── smirnoff99Frosst-1.0.6.offxml │ ├── smirnoff99Frosst-1.0.7.offxml │ ├── smirnoff99Frosst-1.0.8.offxml │ ├── smirnoff99Frosst-1.0.9.offxml │ └── smirnoff99Frosst-1.1.0.offxml ├── smirnoff99frosst.py └── tests │ └── test_smirnoff99Frosst.py └── versioneer.py /.gitignore: -------------------------------------------------------------------------------- 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