OpenFreeEnergy / OpenFreeEnergy/feflow
Utility functions to acquire components in a system
Open
@ijpulidos is already working on this.
Since Dec 11, 2024.
- Dominant language
- Python
- Stars
- 20
- Forks
- 4
- PR merge metrics
- No merged PRs in 30d
Description
In order to avoid having redundant code for the different protocols, there are a few utility functions that seem useful to have ready to be used.
- One that get the alchemical components
- One that get components of specified type
- One that gets ALL components in a system
Whether these should live here or in gufe can be discussed further.
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