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tox21

Here are 2 public repositories matching this topic...

UnixJunkie / deepchem-playground

some scripts using deepchem

deep-learning classification chemoinformatics early-stopping tox21 deepchem toxicity-prediction

Updated Nov 19, 2019
Python

sunilpanda14 / PolyToxiQ

A Polymer Toxicity Prediction Tool using PSMILE Strings

polymer molecule dnn cosine-similarity transfer-learning zeroshot-learning tox21 sckit-learn toxicity-prediction autogluon sentence-transformers

Updated Jul 2, 2025
Python

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