/tools/torsional-diffusion
torsional-diffusion
gcorso/torsional-diffusion
summary
The 'torsional-diffusion' repository provides an implementation of a state-of-the-art method for generating molecular conformers using a diffusion framework. It outperforms traditional software in generating diverse molecular structures, making it a valuable tool for molecular design and optimization.
description
Implementation of Torsional Diffusion for Molecular Conformer Generation (NeurIPS 2022)
topics
chemistryconformer-generatorequivariancegeometrymachine-learningmoleculestorsion-anglesneurips-2022
Ratings
N/A
0 ratings
Rate this tool: