├── .gitignore ├── .travis.yml ├── MANIFEST.in ├── PyCFMID ├── PyCFMID.py ├── Windows │ ├── ISOTOPE.DAT │ ├── README.txt │ ├── cfm-annotate.exe │ ├── cfm-id-precomputed.exe │ ├── cfm-id.exe │ ├── cfm-predict.exe │ ├── cfm-train.exe │ ├── compute-stats.exe │ ├── fraggraph-gen.exe │ ├── license.txt │ └── lpsolve55.dll ├── __init__.py ├── ei_config.log ├── ei_config.txt ├── esi_config.log ├── esi_config.txt ├── esi_config_neg.log └── esi_config_neg.txt ├── ReadMe.md ├── Test └── test.py ├── requirements.txt └── setup.py /.gitignore: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/hcji/PyCFMID/HEAD/.gitignore -------------------------------------------------------------------------------- /.travis.yml: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/hcji/PyCFMID/HEAD/.travis.yml -------------------------------------------------------------------------------- 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