#Conformers

Showing 1 of 1 repositories tagged #conformers, ranked by stars

ml_conformer_generator

A tool for spatially-aware molecule design and optimisation via Equivariant Diffusion and GCN

★ 56 ⑂ 2 —

Related Topics

#chemistry #deep-learning #diffusion-models #graph-convolutional-networks #molecule-design #molecule-generation #neural-network #paper #pretrained-models #pytorch #rdkit #reinforcement-learning