lipeiji
bd2933d3a5
fix rdkit version
2025-06-18 16:18:53 +08:00
chenyongkang
fb4009b871
fix(ChemStructure2Property): implement scoring system for logP prediction
...
- Add random selection of InChI and SMILES strings
- Implement relative error-based scoring for logP prediction
- Update verification functions to return scores instead of boolean
- Refactor InChI and SMILES generation for better randomness
2025-06-17 12:07:14 +08:00
lipeiji
9f0c6efee5
fix symbolic
2025-06-16 20:31:37 +08:00
Jucheng Hu
91972f43ea
adding MR and LogP Prediction tasks
2025-06-16 15:10:05 +08:00
lipeiji
33101ef068
Merge remote-tracking branch 'remotes/origin/main' into pjli-dev
2025-06-16 10:36:06 +08:00
lipeiji
46611681c2
add medical
2025-06-16 10:33:07 +08:00
chenyongkang
483c53c714
feat(bootcamp): Add BBEHHyperbaton (verified)
2025-06-12 14:15:53 +08:00
chenyongkang
8678ab0e3b
feat(bootcamp): Add BBEHHyperbaton (verified)
2025-06-12 14:15:53 +08:00
lilinyang
18a552597a
init-commit
2025-05-23 15:27:15 +08:00