OpenADMET/openadmet-models
Machine learning workflows for the OpenADMET project
This project provides machine learning tools to help scientists predict how new drug compounds will behave in the body. By inputting chemical structures, researchers can quickly estimate a compound's absorption, distribution, metabolism, excretion, and potential toxicity (ADMET properties). It's designed for medicinal chemists, pharmacologists, and drug discovery scientists who need to efficiently evaluate potential drug candidates early in development.
Use this if you are a drug discovery scientist or medicinal chemist seeking to rapidly develop and test machine learning models for predicting ADMET properties of chemical compounds.
Not ideal if you need a pre-built solution with every single cutting-edge ADMET prediction model, as this focuses on providing a flexible framework for building your own.
Stars
45
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6
Language
Python
License
Apache-2.0
Category
Last pushed
Mar 10, 2026
Commits (30d)
0
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