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OpenFreeEnergy / feflow Public

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Convergence tests for protein mutation protocol#95

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mikemhenry merged 7 commits intoprotein-mutation-protocolOpenFreeEnergy/feflow:protein-mutation-protocolfrom convergence-testsOpenFreeEnergy/feflow:convergence-testsCopy head branch name to clipboard

Oct 28, 2024

+401-11

Conversation Commits7 (7)Checks Files changed

Commits

Commits on Oct 22, 2024

Neutral protein mutation convergence test
ijpulidos
committed

Commits on Oct 23, 2024

Charge changing protein mutation convergence test
ijpulidos
committed
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot]
committed
Using GUFE's JSON decoder
ijpulidos
committed
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot]
committed

Commits on Oct 28, 2024

Using forward-reverse utility function in all tests
ijpulidos
committed
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot]
committed

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