John E. Herr

1. SPICE, A Dataset of Drug-like Molecules and Peptides for Training Machine Learning Potentials
   2022/09/21 by Peter Eastman, Pavan Kumar Behara, Eastman, Peter +21 · 42 citations
   Biochemistry, Genetics and Molecular Biology · Materials Science · #Biomolecules (q-bio.BM) #Chemical Physics (physics.chem-ph) #Chemical Synthesis and Analysis #FOS: Biological sciences #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG) #Machine Learning in Materials Science #Protein Structure and Dynamics
2. The TensorMol-0.1 Model Chemistry: a Neural Network Augmented with Long-Range Physics
   2017/11/17 by Kun Yao, John E. Herr, Yao, Kun +7 · 7 citations
   Biochemistry, Genetics and Molecular Biology · Chemistry · Materials Science · #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Machine Learning in Materials Science #Protein Structure and Dynamics #Various Chemistry Research Topics
3. Fourier series for singular measures in higher dimensions
   2024/02/25 by Chad Berner, Berner, Chad, John E. Herr +5 · 1 citation
   Mathematics · #42B05 (Primary) #46C07 (Secondary) #Advanced Harmonic Analysis Research #Differential Equations and Boundary Problems #FOS: Mathematics #Functional Analysis (math.FA) #advanced mathematical theories