├── .github └── workflows │ ├── ci.yml │ └── weekly.yml ├── .gitignore ├── .travis.yml ├── LICENSE ├── README.rst ├── anncolvar └── __init__.py ├── bin └── anncolvar ├── data ├── reference.pdb ├── results_isomap └── traj_fit.xtc ├── docs └── html │ ├── installing.rst │ └── quickstart.rst ├── requirements.txt ├── setup.py └── tests ├── reference.pdb ├── results_isomap ├── test_it.py ├── test_it2.py ├── test_it3.py ├── test_it4.py ├── test_it5.py ├── test_it6.py ├── test_it7.py └── traj_fit.xtc /.github/workflows/ci.yml: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/spiwokv/anncolvar/HEAD/.github/workflows/ci.yml -------------------------------------------------------------------------------- /.github/workflows/weekly.yml: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/spiwokv/anncolvar/HEAD/.github/workflows/weekly.yml 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