Joshua T. Horton

Development and Benchmarking of Open Force Field 2.0.0: The Sage Small Molecule Force Field

Simon Boothroyd, Pavan Kumar Behara, Owen Madin et al. · Journal of Chemical Theory and Computation · 2023 · 165 citations · Full text

SPICE, A Dataset of Drug-like Molecules and Peptides for Training Machine Learning Potentials

Peter Eastman, Pavan Kumar Behara, David Dotson et al. · Scientific Data · 2023 · 137 citations · Full text

MACE-OFF: Short-Range Transferable Machine Learning Force Fields for Organic Molecules

Dávid Péter Kovács, J. Harry Moore, Nicholas J. Browning et al. · Journal of the American Chemical Society · 2025 · 106 citations · Full text

Engineering, Machine Learning, Molecular Biology +18

QUBEKit: Automating the Derivation of Force Field Parameters from Quantum Mechanics

Joshua T. Horton, Alice E. A. Allen, Leela S. Dodda et al. · Journal of Chemical Information and Modeling · 2019 · 99 citations · Full text

MACE-OFF: Transferable Short Range Machine Learning Force Fields for Organic Molecules

Dávid Péter Kovács, J. Harry Moore, Nicholas J. Browning et al. · arXiv (Cornell University) · 2023 · 65 citations · Full text