/tools/admet_ai
admet_ai
swansonk14/admet_ai
261 stars69 forksHTMLAdded February 8, 2026
summary
ADMET-AI is a platform for predicting ADMET (Absorption, Distribution, Metabolism, Excretion, and Toxicity) properties of molecules using Chemprop models trained on relevant datasets. It provides functionalities through a command line tool, a Python API, and a web server for making predictions on new molecules.
description
Training and prediction scripts for Chemprop models trained on ADMET datasets
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