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choderalab / perses Public

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0.9.0

Release 0.9.0

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mikemhenry released this 14 May 19:47

This commit was created on GitHub.com and signed with GitHub’s verified signature. The key has expired.

GPG key ID: 4AEE18F83AFDEB23

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CI improvements: PR #736 #739 #751 #761 #763
Refactoring: PR #768 #773 #775 #786
Bug Fixes: PR #744 #745 #746 #783

Enhancements:

Deterministic Geometry Proposal
Enable hybrid topology factory to be repartitioned at the endstates
Add option to impose RMSD restraint on core heavy atoms and nearby protein CA atoms

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