scikit-fingerprints/MolPILE
MolPILE dataset ArXiv preprint: "MolPILE - large-scale, diverse dataset for molecular representation learning" J. Adamczyk, J. Poziemski, F. Job, M. Król, M. Makowski GitHub repository: https://github.com/scikit-fingerprints/MolPILE_dataset Description MolPILE is a large-scale molecular dataset designed for pretraining and evaluating machine learning models in cheminformatics. It is compiled from several major chemical databases: UniChem, PubChem, Mcule, ChemSpace… See the full description on the dataset page: https://huggingface.co/datasets/scikit-fingerprints/MolPILE.
| Author / organization | scikit-fingerprints |
|---|---|
| Downloads | 197 (as reported by Hugging Face) |
| Likes | 3 |
| Created | 4 August 2025 |
| Last updated at source | 4 April 2026 |
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