https://github.com/thorben-frank/mlff

Build neural networks for machine learning force fields with JAX
https://github.com/thorben-frank/mlff

deep-learning force-fields machine-learning molecular-dynamics

Last synced: 29 days ago
JSON representation

Build neural networks for machine learning force fields with JAX

• Host: GitHub
• URL: https://github.com/thorben-frank/mlff
• Owner: thorben-frank
• License: mit
• Created: 2022-09-30T07:40:17.000Z (over 2 years ago)
• Default Branch: main
• Last Pushed: 2025-02-11T09:04:15.000Z (4 months ago)
• Last Synced: 2025-02-11T10:23:04.332Z (4 months ago)
• Topics: deep-learning, force-fields, machine-learning, molecular-dynamics
• Language: Python
• Homepage:
• Size: 14.1 MB
• Stars: 107
• Watchers: 6
• Forks: 25
• Open Issues: 6
• Metadata Files:
  • Readme: README.md
  • License: LICENSE.md

Awesome Lists containing this project

• best-of-atomistic-machine-learning - GitHub - 46% open · ⏱️ 23.08.2024): (Interatomic Potentials (ML-IAP))