From zero to ranked candidates: AI de novo drug design with REINVENT4 (RL on HPC) + scaffold-based SAR analysis.
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Oct 2, 2026 - Python
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reinvent4
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Open-source autonomous in silico drug-discovery pipeline for Korean traditional medicine: Boltz-2 + OpenFold3 + AQAffinity + REINVENT4 + OpenMM ABFE + cost-aware multi-fidelity BO scheduler. 19 bioRxiv preprints. Recover Korean Medicine Clinic (Seoul, opening planned for September 7, 2026) translational anchor.
ai openmm drug-discovery biorxiv dermatology bayesian-optimization natural-products in-silico multi-fidelity admet abfe korean-medicine boltz-2 openfold3 aqaffinity reinvent4
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Aug 28, 2026 - HTML
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