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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.LG2020
Sparse Dynamic Distribution Decomposition: Efficient Integration of Trajectory and Snapshot Time Series Data
Jake P. Taylor-King, Cristian Regep, Jyothish Soman +3
Dynamic Distribution Decomposition (DDD) was introduced in Taylor-King et. al. (PLOS Comp Biol, 2020) as a variation on Dynamic Mode Decomposition. In brief, by using basis functio…