/tools/AlphaPPImd

AlphaPPImd

AspirinCode/AlphaPPImd

32 stars3 forksJupyter NotebookAdded February 8, 2026
summary

AlphaPPImd utilizes transformer-based generative neural networks to explore and generate new conformations of protein-protein complexes. It enhances molecular dynamics simulations by providing a method to sample unsampled conformations, thereby aiding in the analysis of protein interactions.

description

Exploring the conformational ensembles of protein-protein complexes with transformer-based generative neural networks

topics

deep-generative-modelmolecular-dynamicsopenmmtransformersprotein-protein-complexesppiambertoolsdockq

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