PyTorch implementation of bimodal neural networks for drug-cell (pharmarcogenomics) and drug-protein (proteochemometrics) interaction prediction
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Aug 6, 2025 - Python
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proteochemometrics
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HyperPCM: Robust task-conditioned modeling of drug-target interactions
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Oct 1, 2024 - Python
Comparison of active site and full kinase sequences for drug-target affinity prediction and molecular generation. Full paper: https://pubs.acs.org/doi/10.1021/acs.jcim.1c00889
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Oct 3, 2022 - Python
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