/tools/masif-neosurf

masif-neosurf

LPDI-EPFL/masif-neosurf

165 stars24 forksPythonAdded February 4, 2026
summary

MaSIF-neosurf is a computational tool designed for surface-based protein design, specifically targeting protein-ligand interactions. It employs deep learning techniques to analyze and generate molecular surfaces, facilitating the design of proteins that can interact with small molecules.

description

MaSIF-neosurf: surface-based protein design for ternary complexes.

topics

drug-designgeometric-deep-learningmolecular-surfaceprotein-design

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