2022
SPICE, A Dataset of Drug-like Molecules and Peptides for Training Machine Learning Potentials.
[DOI]
Peter K. Eastman
,
Pavan Kumar Behara
,
David L. Dotson
,
Raimondas Galvelis
,
John E. Herr
,
Josh T. Horton
,
Yuezhi Mao
,
John D. Chodera
,
Benjamin P. Pritchard
,
Yuanqing Wang
,
Gianni De Fabritiis
,
Thomas E. Markland
CoRR, 2022

2017
Fourier Series for Singular Measures.
[DOI]
John E. Herr
,
Eric S. Weber
Axioms, 2017