Peter Eastman

8PUBLICATIONS
27CO-AUTHORS
Semi- and unsupervised learningNeural networksComputational chemistryComputer aided designMicroelectromechanical systems (MEMS)
Featured researcher

Get your video featured.

JoVEPublish with JoVE
Journal

Publications (8)

|Jun 05, 2026
Accuracy and Efficiency Benchmarks of Pretrained Machine Learning Potentials for Molecular Simulations.

|Sep 25, 2024
Nutmeg and SPICE: Models and Data for Biomolecular Machine Learning.

Peter Eastman, Benjamin P Pritchard, John D Chodera

|May 14, 2024
TorchMD-Net 2.0: Fast Neural Network Potentials for Molecular Simulations.

Raul P Pelaez, Guillem Simeon, Raimondas Galvelis

|Dec 28, 2023
OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials.

Peter Eastman, Raimondas Galvelis, Raúl P Peláez

|Sep 11, 2023
NNP/MM: Accelerating Molecular Dynamics Simulations with Machine Learning Potentials and Molecular Mechanics.

Raimondas Galvelis, Alejandro Varela-Rial, Stefan Doerr

|Jan 04, 2023
SPICE, A Dataset of Drug-like Molecules and Peptides for Training Machine Learning Potentials.

Peter Eastman, Pavan Kumar Behara, David L Dotson

Pageof 2

Frequent Collaborators

5 joint publications

Thomas E Markland

4 joint publications

John D Chodera

4 joint publications

Raimondas Galvelis

3 joint publications

Gianni De Fabritiis