Curated data deposit for the CardioSafe cardiac ion channel benchmark: labels, Tanimoto-controlled splits (tan70 / tan60), and supplementary artifacts for hERG, Nav1.5, Cav1.2, and IKs.
benchmark deep-learning cheminformatics drug-discovery qsar herg multi-task-learning chembl cipa ion-channels cardiac-safety
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Updated
May 15, 2026 - Python