GilsonLabUCSD / pAPRika

Advanced toolkit for binding free energy calculations

BSD 3-Clause "New" or "Revised" License

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Update README and docs for new release #181

Closed jeff231li closed 2 years ago

jeff231li commented 2 years ago

In addition to the README file and docs, I updated the conda-envs/test_env.yaml file due to Pint v0.20 breaking things. I will remove the pin after openff-units gets an updated

codecov-commenter commented 2 years ago

Codecov Report

Merging #181 (294d423) into master (0191e7f) will decrease coverage by 0.01%. The diff coverage is n/a.