/tools/chembl_multitask_model

chembl_multitask_model

chembl/chembl_multitask_model

19 stars10 forksPythonAdded February 8, 2026
summary

The ChEMBL Multitask Neural Network model is a fast and efficient tool for predicting molecular targets based on a variety of bioactivity data. It supports off-target predictions and is implemented in multiple programming languages, making it versatile for different computational environments.

description

Target prediction multitask neural network, with examples running it in Python, C++, Julia and JS

topics

chemistrycheminformaticsmachine-learning

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