├── .gitignore ├── .pre_black_listed ├── .travis.yml ├── LICENSE.txt ├── README.md ├── ambermini ├── README.md ├── bld.bat ├── build.sh └── meta.yaml ├── appveyor.yml ├── assaytools ├── build.sh └── meta.yaml ├── cclib ├── bld.bat ├── build.sh └── meta.yaml ├── cerberus └── meta.yaml ├── clusterutils ├── bld.bat ├── build.sh └── meta.yaml ├── conda-build-all ├── covar ├── bld.bat ├── build.sh └── meta.yaml ├── cpptraj ├── bld.bat ├── build.sh └── meta.yaml ├── deepchem ├── build.sh └── meta.yaml ├── devtools ├── appveyor │ ├── missing-headers.ps1 │ └── run_with_env.cmd ├── check-outdated ├── docker-build.sh └── osx-build.sh ├── eigen3 ├── build.sh ├── meta.yaml ├── run_test.sh └── test.cc ├── ensembler ├── build.sh └── meta.yaml ├── fahmunge ├── README.md ├── build.sh └── meta.yaml ├── fftw3f ├── FLAG_FOR_REVIEW_FFTW ├── bld.bat ├── build.sh └── meta.yaml ├── forcebalance ├── build.sh └── meta.yaml ├── iapetus ├── build.sh └── meta.yaml ├── jom ├── bld.bat └── meta.yaml ├── lomap ├── build.sh └── meta.yaml ├── m2r ├── build.sh └── meta.yaml ├── mdentropy ├── build.sh └── meta.yaml ├── migrated-to-conda-forge └── cmiles │ ├── README.md │ └── meta.yaml ├── molpx ├── matplotlibrc └── meta.yaml ├── msmb_data ├── bld.bat ├── build.sh └── meta.yaml ├── msmexplorer ├── bld.bat ├── build.sh └── meta.yaml ├── munkres ├── bld.bat ├── build.sh └── meta.yaml ├── offline-builds ├── fragmenter │ ├── build_local.sh │ └── meta.yaml ├── openff-evaluator │ ├── README.md │ ├── build.sh │ ├── build_local.sh │ └── meta.yaml ├── openforcefield │ ├── README.md │ ├── build_local.sh │ └── meta.yaml ├── openforcefields │ └── meta.yaml ├── pdbfixer │ ├── bld.bat │ ├── build_local.sh │ └── meta.yaml └── perses │ ├── build_local.sh │ └── meta.yaml ├── omnia ├── README.md └── meta.yaml ├── openmm-setup ├── bld.bat ├── build.sh ├── meta.yaml └── remove-requirements.patch ├── openmmforcefields ├── build.sh └── meta.yaml ├── openmmtools ├── README.md ├── bld.bat ├── build.sh └── meta.yaml ├── 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