Recent Releases of https://github.com/brsynth/rxn_rebuild
https://github.com/brsynth/rxn_rebuild - Release 3.1.2
3.1.2 (2025-07-28)
- Python
Published by github-actions[bot] 12 months ago
https://github.com/brsynth/rxn_rebuild - Release 3.1.1
3.1.1 (2025-07-28)
Build Systems
- remove rdkit (040dfb9)
- Python
Published by github-actions[bot] 12 months ago
https://github.com/brsynth/rxn_rebuild - Release 3.1.0
3.1.0 (2025-07-28)
Features
- possible to add compounds to ingore for rebuilding (6fbb101)
Build Systems
- environment: rr_cache version (9898a1e)
- tag.yml: uopdate deprecated version of download-artefact (8656288)
- Python
Published by github-actions[bot] 12 months ago
https://github.com/brsynth/rxn_rebuild - Release 3.0.3
3.0.3 (2022-03-16)
- Python
Published by github-actions[bot] over 4 years ago
https://github.com/brsynth/rxn_rebuild - Release 3.0.2
3.0.2 (2022-03-16)
- Python
Published by github-actions[bot] over 4 years ago
https://github.com/brsynth/rxn_rebuild - Release 3.0.1
3.0.1 (2022-03-16)
- Python
Published by github-actions[bot] over 4 years ago
https://github.com/brsynth/rxn_rebuild - Release 3.0.0
3.0.0 (2022-03-16)
⚠ BREAKING CHANGES
- return dictionary of compounds with floating stoichiometric coefficients
Build Systems
- github: fix tag job (211707c)
chore
- return stoichio dict (04df542)
- Python
Published by github-actions[bot] over 4 years ago
https://github.com/brsynth/rxn_rebuild - Release 2.1.3
2.1.3 (2022-03-11)
Bug Fixes
- stochio: fit to rr_cache new version (add08e2)
- Python
Published by github-actions[bot] over 4 years ago
https://github.com/brsynth/rxn_rebuild - Release 2.1.2
2.1.2 (2022-01-13)
Bug Fixes
Build Systems
Code Refactoring
- ci: rm ci folder (9334d67)
- Python
Published by github-actions[bot] over 4 years ago
https://github.com/brsynth/rxn_rebuild - Release 2.1.1
2.1.1 (2021-10-14)
Build Systems
- add environment.yaml (6c31168)
- Python
Published by github-actions[bot] almost 5 years ago
https://github.com/brsynth/rxn_rebuild - feat: --direction
Take into account the direction of the transformation to complete
- Python
Published by breakthewall about 5 years ago
https://github.com/brsynth/rxn_rebuild - Faster with pre-loaded cache
- Python
Published by breakthewall about 5 years ago
https://github.com/brsynth/rxn_rebuild - Template reaction ID
- Python
Published by breakthewall about 5 years ago
https://github.com/brsynth/rxn_rebuild - Compounds with no structure
- Python
Published by breakthewall about 5 years ago