The Rosetta Bio-macromolecule modeling package. Available through license with the University of Washington.
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Mar 4, 2026 - C++
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macromolecular-modeling
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Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information
data-mining clustering data-retrieval utrecht-university pdbe-s-rest-api protein-docking macromolecular-modeling
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Jan 22, 2026 - Python
A Rust implementation of the LightDock macromolecular docking software
bioinformatics protein-structure protein docking protein-structure-prediction peptide macromolecular-modeling protein-peptide
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Apr 19, 2024 - Rust
Python package for calculating configurational entropy from molecular dynamics simulations using the multiscale cell correlation method.
molecular-dynamics statistical-analysis software biomolecular-simulation macromolecular-modeling entropy-estimation protein-flexibility
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Mar 4, 2026 - Python
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