OpenFreeEnergy / OpenFreeEnergy/openfe
openmm rbfe - use gufe.Context better
Open
@richardjgowers is already working on this.
Since Apr 14, 2023.
openmm_rbfe
- Dominant language
- Python
- Stars
- 331
- Forks
- 56
- Avg merge
- 3d 9h
- Merged PRs (30d)
- 13
Description
spotted on #291
currently there's file cleanup happening inside the protocol, this should probably instead be properly using scratch space
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