11 citations · 22 across the 3 of their papers we have counts for
Showing cs.LGShow all
2 papers · 1 filter
cs.LG2024★ 11 cited
BioNeMo Framework: a modular, high-performance library for AI model development in drug discovery
Peter St. John, Dejun Lin, Polina Binder +89
Artificial Intelligence models encoding biology and chemistry are opening new routes to high-throughput and high-quality in-silico drug development. However, their training increas…
cs.LG2022★ 11 cited
Improving Small Molecule Generation using Mutual Information Machine
Danny Reidenbach, Micha Livne, Rajesh K. Ilango +2
We address the task of controlled generation of small molecules, which entails finding novel molecules with desired properties under certain constraints (e.g., similarity to a refe…