Autodesk / Autodesk/molecular-design-toolkit
`mol.calculate()` should ignore cache when energy model parameters change
Open
bug
- Dominant language
- Python
- Stars
- 174
- Forks
- 37
- PR merge metrics
- No merged PRs in 30d
Description
This is a small view of the much larger issue of calculation caching. This is dependent on good semantic storage of calculation results, plus a way to determine whether two calculation descriptions are equivalent or not.
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