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 . Uploaded: yes . Cleaned locally: yes , staged size 34.9 GB. molecule3d : Molecule3D (~15GB, ~3.9M). Status: uploaded . Uploaded: yes . Cleaned locally: yes , staged size 1.9 GB. pcqm4mv2 : PCQM4Mv2 (~17GB SDF, ~3.8M). Status: uploaded . Uploaded: yes . Cleaned locally: yes , staged size 1.5 GB. zinc3d : ZINC20 3D Conformers (SDF) (~50 200GB depending on tranche selection, hundreds of millions). Status: uploaded . Uploaded: yes . Cleaned locally: yes , staged size 463.4 GB. pubchem3d : PubChem 3D Conformer (hundreds of GB, ~100M+). Status: uploaded . Uploaded: yes . Cleaned locally: yes , staged size 165.4 GB. Layout Each dataset is stored under its own top level folder in this repo. Notes pubchem3d is very large. The d…
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