PMO-Dock2 min read
PMO-Dock: Benchmarking Docking, Specificity, and Generalization in Molecular Optimization
The Practical Molecular Optimization (PMO) benchmark standardized evaluation in molecular optimization, but it is built on simple property-based oracles that do not capture structure-based drug design.
By Gor Simonyan, Tatevik Abrahamyan, Narek Abelyan, Tigran Fahradyan, Hrant KhachatrianarXiv cs.LG
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Originally published by arXiv cs.LG on Oct 15, 2026.
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