Electron-Passing Neural Networks for Atomic Charge Prediction in Systems with Arbitrary Molecular Charge. - Derek P. Metcalf; Andy Jiang; Steven A. Spronk; Daniel L. Cheney; C. David Sherrill (J. Chem. Inf. Model., 2021)

Directional ΔG Neural Network (DrΔG-Net): A Modular Neural Network Approach to Binding Free Energy Prediction. - Derek P. Metcalf; Zachary L. Glick; Andrea Bortolato; Andy Jiang; Daniel L. Cheney; C. David Sherrill (J. Chem. Inf. Model., 2024)