1 citations · 1 across the 2 of their papers we have counts for
2 papers
cs.LG2025
Procrustean Bed for AI-Driven Retrosynthesis: A Unified Framework for Reproducible Evaluation
Anton Morgunov, Victor S. Batista
Progress in computer-aided synthesis planning (CASP) is obscured by the lack of standardized evaluation infrastructure and the reliance on metrics that prioritize topological compl…
physics.chem-ph2020★ 1 cited
Using Restricted Boltzmann Machines to Model Molecular Geometries
Peter Nekrasov, Jessica Freeze, Victor Batista
Precise physical descriptions of molecules can be obtained by solving the Schrodinger equation; however, these calculations are intractable and even approximations can be cumbersom…