GEOM-Drugs

GEOM: Molecular Conformations (Drugs Subset) Note: This is a mirrored and specifically preprocessed version of the GEOM dataset (Drugs subset), originally created by Simon Axelrod and Rafael Gómez-Bombarelli. All credit for the original conformational sampling and DFT calculations goes to the original authors. This rep

Papers using GEOM-Drugs (2)

Autoregressive latent diffusion for 3D molecule generation2026Smoothing Dark Areas in Molecular Latent Diffusion2026