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Projects in Awesome Lists tagged with conformer-generator

A curated list of projects in awesome lists tagged with conformer-generator .

https://github.com/gcorso/torsional-diffusion

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

chemistry conformer-generator equivariance geometry machine-learning molecules neurips-2022 torsion-angles

Last synced: 17 Nov 2024

https://github.com/e-dang/confbusterplusplus

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

conformer-generator macrocycle-ring macrocycles

Last synced: 07 Nov 2024