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biopolymer_alpha_notebook.ipynb
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| name: test | |
| channels: | |
| - jaimergp/label/unsupported-cudatoolkit-shim | |
| - conda-forge | |
| dependencies: | |
| # Base depends | |
| - python | |
| - pip | |
| # Testing | |
| - pytest | |
| - pytest-cov | |
| - pytest-xdist | |
| - pytest-rerunfailures | |
| - nbval | |
| - codecov | |
| - coverage | |
| - numpy | |
| - networkx | |
| - ambertools | |
| - rdkit | |
| - packaging | |
| # Removed until a compatible release is made | |
| # - openmmforcefields | |
| - openmm >=7.6 | |
| - openff-toolkit | |
| - nglview | |
| - notebook | |
| - openff-amber-ff-ports | |
| - openff-forcefields | |
| - openff-units >=0.1.6 | |
| - openff-utilities | |
| - smirnoff99Frosst | |
| - cachetools | |
| - cached-property | |
| - pyyaml | |
| - toml | |
| - bson | |
| - msgpack-python | |
| - xmltodict | |
| - python-constraint | |
| - qcelemental | |
| - qcportal >=0.15 | |
| - qcengine | |
| - mdtraj | |
| - distributed |
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