Derek P. Metcalf

AP-Net: An atomic-pairwise neural network for smooth and transferable interaction potentials

Zachary L. Glick, Derek P. Metcalf, Alexios Koutsoukas et al. · The Journal of Chemical Physics · 2020 · 72 citations · Full text

Natural Sciences, Chemistry, Physics +17

Approaches for machine learning intermolecular interaction energies and application to energy components from symmetry adapted perturbation theory

Derek P. Metcalf, Alexios Koutsoukas, Steven A. Spronk et al. · The Journal of Chemical Physics · 2020 · 41 citations

Natural Sciences, Chemistry, Computational Chemistry +13

Electron-Passing Neural Networks for Atomic Charge Prediction in Systems with Arbitrary Molecular Charge

Derek P. Metcalf, Andy Jiang, Steven A. Spronk et al. · Journal of Chemical Information and Modeling · 2020 · 40 citations

Natural Sciences, Chemistry, Computer Science +15

A quantum chemical interaction energy dataset for accurately modeling protein-ligand interactions

Steven A. Spronk, Zachary L. Glick, Derek P. Metcalf et al. · Scientific Data · 2023 · 22 citations · Full text

Life Sciences, Biophysics, Chemistry +17

Benchmark coupled-cluster lattice energy of crystalline benzene and assessment of multi-level approximations in the many-body expansion

Carlos H. Borca, Zachary L. Glick, Derek P. Metcalf et al. · The Journal of Chemical Physics · 2023 · 18 citations

Natural Sciences, Chemistry, Physics +17