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README.md
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| Config | Task | Description | Input | Output | n | Random baseline |
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| `task1` | Pairwise solvent comparison | Given a compound (SMILES) and two solvents, select the one with higher solubility | SMILES + 2 solvents | A / B | 3699 | 50.0% |
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| `task2` | Best solvent selection | Given a compound and a list of solvents, select the one with highest solubility | SMILES + N solvents | letter |
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| `task3` | Co-solvent effect prediction | Given a compound, a base solvent and a co-solvent mixture, predict whether solubility increases or decreases | SMILES + mixture composition | A / B |
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| `task4` | Pairwise compound comparison | Given a solvent and two compounds (SMILES), select the one with higher solubility | Solvent + 2 SMILES | A / B | 3000 | 50.0% |
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| Config | Task | Description | Input | Output | n | Random baseline |
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| 45 |
|--------|------|-------------|-------|--------|---|-----------------|
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| 46 |
| `task1` | Pairwise solvent comparison | Given a compound (SMILES) and two solvents, select the one with higher solubility | SMILES + 2 solvents | A / B | 3699 | 50.0% |
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| `task2` | Best solvent selection | Given a compound and a list of solvents, select the one with highest solubility | SMILES + N solvents | letter | 878 | ~17.1% |
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| `task3` | Co-solvent effect prediction | Given a compound, a base solvent and a co-solvent mixture, predict whether solubility increases or decreases | SMILES + mixture composition | A / B | 2229 | 50.0% |
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| `task4` | Pairwise compound comparison | Given a solvent and two compounds (SMILES), select the one with higher solubility | Solvent + 2 SMILES | A / B | 3000 | 50.0% |
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