1 citations · 1 across the 1 of their papers we have counts for
2 papers
cs.LG2026
PMO-Dock: Benchmarking Docking, Specificity, and Generalization in Molecular Optimization
Gor Simonyan, Tatevik Abrahamyan, Narek Abelyan +2
The Practical Molecular Optimization (PMO) benchmark standardized evaluation in molecular optimization, but it is built on simple property-based oracles that do not capture structu…
cs.LG2024★ 1 cited
Small Molecule Optimization with Large Language Models
Philipp Guevorguian, Menua Bedrosian, Tigran Fahradyan +3
Molecular optimization, the process of designing molecules with desirable properties, represents a critical challenge in drug discovery. The recent advancements in large language m…