/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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