Peter K. Eastman

300 Grattan Street
Parkville, NSW 3050, Australia

Last Updated: 09/26/2026

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Found 56 publications

Accuracy and Efficiency Benchmarks of Pretrained Machine Learning Potentials for Molecular Simulations.

Accuracy and Efficiency Benchmarks of Pretrained Machine Learning Potentials for Molecular Simulations.

Journal: Journal of chemical theory and computation

Published: June 05, 2026

Nutmeg and SPICE: Models and Data for Biomolecular Machine Learning.

Nutmeg and SPICE: Models and Data for Biomolecular Machine Learning.

Journal: Journal of chemical theory and computation

Published: September 25, 2024

Palliative care clinical trials research in regional settings: green fields of opportunity.

Palliative care clinical trials research in regional settings: green fields of opportunity.

Journal: Internal medicine journal

Published: June 06, 2024

TorchMD-Net 2.0: Fast Neural Network Potentials for Molecular Simulations.

TorchMD-Net 2.0: Fast Neural Network Potentials for Molecular Simulations.

Journal: Journal of chemical theory and computation

Published: May 14, 2024

TorchMD-Net 2.0: Fast Neural Network Potentials for Molecular Simulations.

TorchMD-Net 2.0: Fast Neural Network Potentials for Molecular Simulations.

Journal: ArXiv

Published: March 11, 2024

OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials.

OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials.

Journal: The journal of physical chemistry. B

Published: December 28, 2023

OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials.

OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials.

Journal: ArXiv

Published: November 21, 2023

Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.

Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.

Journal: Science (New York, N.Y.)

Published: November 09, 2023

NNP/MM: Accelerating Molecular Dynamics Simulations with Machine Learning Potentials and Molecular Mechanics.

NNP/MM: Accelerating Molecular Dynamics Simulations with Machine Learning Potentials and Molecular Mechanics.

Journal: Journal of chemical information and modeling

Published: September 11, 2023

Dying at home: enablers and barriers.

Dying at home: enablers and barriers.

Journal: International journal of palliative nursing

Published: July 21, 2023

Does cancer type and adjuvant analgesic prescribing influence opioid dose?-a retrospective cross-sectional study.

Does cancer type and adjuvant analgesic prescribing influence opioid dose?-a retrospective cross-sectional study.

Journal: Annals of palliative medicine

Published: November 14, 2022

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

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

Journal: Scientific data

Published: October 05, 2022

Showing 1-12 of 56

Last Updated: 09/26/2026