AstraZeneca/chemicalx
A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)
This tool helps researchers and pharmaceutical scientists predict the outcomes of administering two drugs together, such as potential drug-drug interactions, polypharmacy side effects, or synergistic effects. You provide data about pairs of drugs, and it uses deep learning models to predict the likely interactions. This is designed for computational chemists, pharmacologists, and drug discovery scientists.
771 stars. No commits in the last 6 months. Available on PyPI.
Use this if you need to rapidly evaluate potential interactions between drug pairs using state-of-the-art deep learning methods and benchmark against established datasets.
Not ideal if you are looking for a simple lookup table for known drug interactions, as this tool is for predictive modeling and discovery, not existing knowledge retrieval.
Stars
771
Forks
101
Language
Python
License
Apache-2.0
Category
Last pushed
Sep 11, 2023
Commits (30d)
0
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