herg-inhibition

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GauravPatil2515 / AnuDrishti

An open-source, regulatory-grade neuro-symbolic platform for molecular toxicity prediction, hERG cardiotoxicity screening, and 21 CFR Part 11 drug safety triage.

drug-discovery rdkit chemoinformatics conformal-prediction graph-neural-networks pytorch-geometric admet computational-toxicology 21-cfr-part-11 molecular-toxicity bioisostere herg-inhibition

Updated Sep 20, 2026
Python

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