vsomnath/holoprot
Multi-Scale Representation Learning on Proteins (NeurIPS 2021)
This project helps computational biologists and drug discovery researchers analyze protein structures to understand their functions and interactions. It takes raw protein data (PDB files) and processes them to generate detailed multi-scale representations, including surface features, secondary structures, and electrostatic charges. The output is a structured representation that can be used for tasks like predicting protein-ligand binding or enzyme function.
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Use this if you need to generate comprehensive, multi-scale feature representations from protein structures for downstream machine learning tasks in computational biology or drug discovery.
Not ideal if you are looking for a user-friendly application with a graphical interface, as this tool requires command-line execution and manual setup of various binary dependencies.
Stars
49
Forks
9
Language
Python
License
MIT
Category
Last pushed
Jun 30, 2023
Commits (30d)
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