/tools/esmdiff

esmdiff

lujiarui/esmdiff

74 stars12 forksPythonAdded February 4, 2026
summary

The ESMDiff repository provides a framework for generating protein conformations using structure language models. It employs a discrete variational auto-encoder and conditional language modeling to capture conformational distributions, making it a valuable tool for protein design and molecular dynamics.

description

Codebase of paper "Structure Language Models for Protein Conformation Generation" (ICLR'25)

topics

conformation-generationgeneration-modelsgenerative-ailanguage-modelmolecular-dynamicsproteinprotein-structurepytorch

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