ORNL/affinity_pred
Protein-ligand affinity prediction using NLP
This tool helps drug discovery scientists quickly estimate how strongly a small molecule drug candidate will bind to a target protein. You provide the chemical structure of a small molecule and the amino acid sequence of a protein, and it predicts their binding affinity. It's designed for researchers in pharmaceutical R&D or biochemistry.
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Use this if you need to rapidly screen and prioritize potential drug candidates based on their predicted binding strength to a specific protein target.
Not ideal if you require highly precise, experimentally validated binding affinities for final drug development stages, as this provides computational predictions.
Stars
7
Forks
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Language
Jupyter Notebook
License
BSD-3-Clause
Category
Last pushed
Oct 12, 2022
Commits (30d)
0
Get this data via API
curl "https://pt-edge.onrender.com/api/v1/quality/ml-frameworks/ORNL/affinity_pred"
Open to everyone — 100 requests/day, no key needed. Get a free key for 1,000/day.
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