conformer-generator

Here are 4 public repositories matching this topic...

Implementation of Torsional Diffusion for Molecular Conformer Generation (NeurIPS 2022)

Chemoinformatics toolkit with support for inorganic molecules

Automated Monte Carlo Conformational Searching with Python

RDKit implementation of ConfBuster - a macrocycle conformer generator. Available on conda.

Add a description, image, and links to the conformer-generator topic page so that developers can more easily learn about it.

To associate your repository with the conformer-generator topic, visit your repo's landing page and select "manage topics."