16 citations · 28 across the 4 of their papers we have counts for
4 papers
Bringing Atomistic Deep Learning to Prime Time
Nathan C. Frey, Siddharth Samsi, Bharath Ramsundar +2
Artificial intelligence has not yet revolutionized the design of materials and molecules. In this perspective, we identify four barriers preventing the integration of atomistic dee…
Low Data Drug Discovery with One-shot Learning
Han Altae-Tran, Bharath Ramsundar, Aneesh S. Pappu +1
Recent advances in machine learning have made significant contributions to drug discovery. Deep neural networks in particular have been demonstrated to provide significant boosts i…
Learning Protein Dynamics with Metastable Switching Systems
Bharath Ramsundar, Vijay S. Pande
We introduce a machine learning approach for extracting fine-grained representations of protein evolution from molecular dynamics datasets. Metastable switching linear dynamical sy…
Understanding Protein Dynamics with L1-Regularized Reversible Hidden Markov Models
Robert T. McGibbon, Bharath Ramsundar, Mohammad M. Sultan +2
We present a machine learning framework for modeling protein dynamics. Our approach uses L1-regularized, reversible hidden Markov models to understand large protein datasets genera…