woongworks/freesolv-ml-ready-preview

FreeSolv ML-Ready — 150-row preview 150 evenly spaced rows of the full 642-row ML-ready table. Same columns as the full table, including split labels. Use it to inspect the format; it is too small for benchmarking. Hydration free energies (kcal/mol) for 642 small molecules from FreeSolv v0.52, cleaned for machine learning: experimental and GAFF-calculated values, canonical SMILES, InChIKey, Murcko scaffold, random and scaffold splits (80/10/10, seed 42). Columns… See the full description on the dataset page: https://huggingface.co/datasets/woongworks/freesolv-ml-ready-preview.

<iframe src="https://silytics.si/embed/item/dfc69e3f-5a4a-4c43-b2f3-5bcda1f912ed" width="420" height="190" style="border:0" loading="lazy" title="Silytics entry"></iframe>

Silytics shows public metadata from Hugging Face and links to the original. Information may be incomplete or out of date. Last refreshed 19 October 2026. Licenses and terms of the original apply to the work itself. Not financial, legal or professional advice.