anton-bushuiev/PPIformer
Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)
This tool helps researchers in drug discovery and protein engineering predict how specific amino acid changes will impact the binding strength between proteins. You input the 3D structure of two interacting proteins (a PDB file) and a list of desired mutations, and it outputs a predicted change in binding energy (ddG). This is useful for scientists designing new therapeutics or improving protein function.
Use this if you need to quickly assess the energetic impact of one or more mutations on a protein-protein interaction.
Not ideal if you are looking to predict entirely new protein structures or interactions from scratch, as it focuses on predicting mutation effects on existing interactions.
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53
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5
Language
Jupyter Notebook
License
MIT
Category
Last pushed
Dec 09, 2025
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