ReactionMechanismGenerator / ReactionMechanismGenerator/ARC
Add conformer adapters
Open
@ranbenayoun is already working on this.
Since Jan 8, 2026.
Good first issue
Module: Conformers
Type: Feature
- Dominant language
- Python
- Stars
- 51
- Forks
- 25
- Avg merge
- 4d 5h
- Merged PRs (30d)
- 15
Description
ARC should search CCCBDB to scrap geometries, if available, before generating conformers. Usually, the species on CCCBDB are relatively "small", so this is not so much to improve the chances of getting the correct conformer but to increase the efficiency by reducing the number of spawned jobs (several conformers are run and compared per species).
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