MARCEL Dataset Card
A comprehensive dataset card for the MoleculAR Conformer Ensemble Learning (MARCEL) benchmark - the first comprehensive benchmark for learning from …
Dataset Cards
3 posts tagged with Dataset Cards.
GDB-13 Dataset Card
A dataset card for the Generated Database 13 (GDB-13), a database of nearly 1 billion small organic molecules for virtual screening and drug …
GEOM Dataset Card
A comprehensive dataset card for the Geometric Ensemble Of Molecules (GEOM) dataset - 37 million energy-annotated molecular conformations for machine …