Fangyinfff/molecules

Molecules This repository stores downloaded 3D molecular datasets collected into one gated Hugging Face dataset repo. Included datasets geom_drugs: GEOM-Drugs (~7GB including QM9, ~304K). Status: uploaded. Uploaded: yes. Cleaned locally: yes, staged size 39.8 GB. geom_qm9: GEOM-QM9 (included in GEOM, ~130K). Status: uploaded. Uploaded: yes. Cleaned locally: yes, staged size 148.0 B. spice: SPICE v2 (~7GB, ~19K molecules / 1.1M conformers). Status: uploaded.… See the full description on the dataset page: https://huggingface.co/datasets/Fangyinfff/molecules.