Fuse features from pretrained models, graph neural network and fingerprints with knowledge distillation
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| Test set | Target label | Metric | Score |
|---|---|---|---|
| test | LOG_SOLUBILITY | r2 | 0.4256154222200319 |
| test | LOG_SOLUBILITY | pearsonr | 0.6543612588592778 |
| test | LOG_SOLUBILITY | spearmanr | 0.5509657839359807 |
| test | LOG_SOLUBILITY | explained_var | 0.4271860304624603 |
| test | LOG_SOLUBILITY | mean_squared_error | 0.3114190492306641 |
| test | LOG_SOLUBILITY | mean_absolute_error | 0.39698164064499997 |