FreeSolv (Free Solvation)
The FreeSolv database offers a curated collection of experimental and calculated hydration-free energies for small molecules in water. It includes both experimental values obtained from prior literature and calculated values based on simulations. The goal is to provide accurate hydration-free energy data, which is essential for understanding solvation properties and interactions of molecules in aqueous environments.
Benchmarks
| Trend | Task | Dataset Variant | Best Model | Paper | Code |
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FreeSolv
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Uni-Mol
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FreeSolv (Free Solvation)
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GLAM
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Papers
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