/tools/Str2Str

Str2Str

lujiarui/Str2Str

81 stars8 forksPythonAdded February 4, 2026
summary

Str2Str is a framework designed for zero-shot protein conformation sampling, utilizing a score-based approach to perturb protein structures and sample conformations. It integrates with existing tools for molecular dynamics simulations and protein folding, making it a valuable resource for computational biology.

description

Codebase of the paper "Str2Str: A Score-based Framework for Zero-shot Protein Conformation Sampling" (ICLR 2024)

topics

computational-biologyconformation-generationdiffusion-modelsgenerative-modelsmolecular-dynamicsmolecular-simulationpytorch

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