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conda-forge.org : openff-evaluator : 0.3.6
A physical property evaluation toolkit from the Open Forcefield Consortium.
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purl: pkg:conda/[email protected]
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v0.3.6
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Dependencies
- cmiles
- dask >=2.7.0
- dask-jobqueue >=0.7.0
- distributed >=2.7.0
- mdtraj >=1.9.3
- networkx
- numpy
- openff-toolkit >=0.10.0
- openmm >=7.6.0
- openmmtools
- packmol
- pandas
- pint
- pydantic
- pymbar >=3.0.5
- python >=3.6
- python-dateutil
- pyyaml
- rdkit
- requests
- uncertainties
- yank >=0.25.2