Comments (2)
I don't think so, but hopefully this goes away with lomap v3
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@IAlibay did this happen?
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Related Issues (20)
- TestOFECommandPlugin sometimes randomly fails HOT 2
- Request: AMD HIP Platform Support HOT 9
- Solvent padding description HOT 3
- Prepare release announcement for social media HOT 1
- Frequent "Should have \sum_n W_nk = 1" errors in analysis HOT 4
- Add a warning/note in the setup that protein inputs may need to be equilibrated before running RBFE? HOT 1
- Get macos-12+, including osx-arm64 (i.e. macos-latest) runners working in CI HOT 1
- [docs] Showcase notebook failing to render HOT 2
- Unpin rdkit on mypy HOT 3
- Run through tutorial using 1.0 release HOT 3
- mark gaff tests as xfail HOT 1
- [docs] find new home for `OpenFE_showcase_1_RBFE_of_T4lysozyme.ipynb` example
- Using customized force field for small molecules HOT 8
- raise a warning if a user supplies an unsupported key in a settings yaml
- CalledProcessError: 9 HOT 2
- Fix OpenFE tests to match main on Lomap
- Validate OpenFE working on latest of our key tools
- Add rever instructions to release instructions in the wiki
- Add install instructions for the conda lock files
- Issue with PyMBAR4
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