lujiarui/esmdiff
Codebase of paper "Structure Language Models for Protein Conformation Generation" (ICLR'25)
This project helps biological researchers and computational chemists efficiently generate various potential 3D shapes (conformations) for a given protein sequence. By inputting protein sequence data, you can obtain diverse structural predictions crucial for understanding protein function or designing new molecules. It's designed for scientists working on protein engineering, drug discovery, or structural biology.
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Use this if you need to explore a wide range of possible 3D structures for a protein based on its amino acid sequence, especially for complex or novel proteins.
Not ideal if you primarily need to predict a single, most stable protein structure rather than a diverse set of conformations, or if you require purely experimental structure determination.
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Python
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Last pushed
Feb 24, 2025
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