Commit graph

10 commits

Author SHA1 Message Date
Zijie Yu
e7542b25f1 add circuit 2025-06-18 19:27:53 +08:00
chenyongkang
18f47e0a3a refactor(bootcamp): simplify InChI and SMILES generation
- Reduce the number of generated InChIs and SMILES from 10 to 1
- Remove random selection, always return the first generated structure
- Comment out debug prints and unused code
2025-06-17 13:29:31 +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