Bindwell/PLAPT
Codebase and CLI for PLAPT: A state-of-the-art protein-ligand binding affinity model for drug discovery
This tool helps drug discovery researchers quickly estimate how strongly a potential drug molecule will bind to a target protein. You provide the protein's amino acid sequence and the drug candidate's molecular structure (SMILES string), and it predicts their binding affinity. This is designed for medicinal chemists and computational biologists in the early stages of drug development.
114 stars. No commits in the last 6 months.
Use this if you need to rapidly screen many potential drug candidates to identify those most likely to bind effectively to a target protein, saving time and resources in drug discovery.
Not ideal if you require experimental validation of binding affinity, as this tool provides predictions rather than empirical measurements.
Stars
114
Forks
15
Language
Mathematica
License
MIT
Category
Last pushed
Mar 27, 2025
Commits (30d)
0
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curl "https://pt-edge.onrender.com/api/v1/quality/transformers/Bindwell/PLAPT"
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