Derek P. Metcalf

According to our database, Derek P. Metcalf authored at least 3 papers between 2021 and 2024.

Collaborative distances:

• Dijkstra number of six.
• Erdős number of five.

2024

Building Blocks of Neural Network Intermolecular Interaction Potentials.

Derek P. Metcalf

PhD thesis, 2024

Directional Δ<i>G</i> Neural Network (DrΔ<i>G</i>-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

2021

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