InternBootcamp/internbootcamp/bootcamp/ChemStructure2Property
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
..
InChI2logPBootCamp.py fix(ChemStructure2Property): implement scoring system for logP prediction 2025-06-17 12:07:14 +08:00
InChI2MRBootCamp.py refactor(internbootcamp): standardize naming conventions and improve code structure 2025-06-16 20:49:17 +08:00
SMILES2logPBootCamp.py fix(ChemStructure2Property): implement scoring system for logP prediction 2025-06-17 12:07:14 +08:00
SMILES2MRBootCamp.py refactor(internbootcamp): standardize naming conventions and improve code structure 2025-06-16 20:49:17 +08:00
utils.py adding MR and LogP Prediction tasks 2025-06-16 15:10:05 +08:00