Conditional Diffusion with Locality Aware Modal Alignment for Generating Diverse Protein Conformational Ensembles

Code Ocean 2026 Open access

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Authors: Baoli wang, Chenglin Wang, Jingyang Chen, Danlin Liu, Changzhi Sun, Jie Zhang, K. Zhang, Honglin Li
DOI: 10.24433/co.7883803.v1
Cited by: 0

Abstract

This package contains the data and the code for the MacDiff algorithm (Modal-aligned conditional Diffusion) to predict the protein conformational ensembles.

Fields of Study & Subjects

Protein Structure and Dynamics Computational Drug Discovery Methods Machine Learning in Bioinformatics

Publication details

Journal / source
Code Ocean
Publication date
1 January 2026
Language
EN