11 citations · 12 across the 2 of their papers we have counts for
2 papers
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.LG2023★ 1 cited
Beyond the training set: an intuitive method for detecting distribution shift in model-based optimization
Farhan Damani, David H Brookes, Theodore Sternlieb +5
Model-based optimization (MBO) is increasingly applied to design problems in science and engineering. A common scenario involves using a fixed training set to train models, with th…