Data Science & Analytics
LAMMPS DeePMD
A tool and knowledge base for running molecular dynamics (MD) simulations in LAMMPS with the DeePMD-kit plugin. It handles input script preparation, ensemble selection (NVE/NVT/NPT), and execution with a verified DeePMD-enabled runtime. USE WHEN you need to set up, write, explain, or execute a LAMMPS molecular dynamics simulation using a DeePMD machine learning potential (for example `.pb`, `.pth`, or DPA4/SeZM `.pt2`).
- Publisher / source
- deepmodeling/deepmd-kit (found on GitHub top repositories)
- Upstream record
- deepmodeling/deepmd-kit
- Version
- Version 1
- Published
- Publication review
- Approved for publication
- Content fingerprint
70c3a8d5785191a95b6a6f1a29c1101699ba5d437ddf0b5d3ceb91c7467bd5b2