OpenFreeEnergy / OpenFreeEnergy/openfe
minimal spanning network should not require a scorer
Open
@atravitz is already working on this.
Since Mar 20, 2026.
- Dominant language
- Python
- Stars
- 331
- Forks
- 56
- Avg merge
- 3d 9h
- Merged PRs (30d)
- 13
Description
It should be possible to create an mst using one mapper and no scorer.
https://github.com/OpenFreeEnergy/openfe/pull/1307#discussion_r2116313709
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