4 Repositories
Python conformation Libraries
Implementation of GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation (ICLR 2022).
GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation [OpenReview] [arXiv] [Code] The official implementation of GeoDiff: A Geome
155 Dec 26, 2022
This repository contains the code for Direct Molecular Conformation Generation (DMCG).
Direct Molecular Conformation Generation This repository contains the code for Direct Molecular Conformation Generation (DMCG). Dataset Download rdkit
25 Dec 20, 2022
NNR conformation conditional and global probabilities estimation and analysis in peptides or proteins fragments
NNR and global probabilities estimation and analysis in peptides or protein fragments This module calculates global and NNR conformation dependent pro
0 Jul 15, 2021
Implementation of Learning Gradient Fields for Molecular Conformation Generation (ICML 2021).
[PDF] | [Slides] The official implementation of Learning Gradient Fields for Molecular Conformation Generation (ICML 2021 Long talk) Installation Inst
117 Dec 9, 2022