/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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