Python toolkit for molecular dynamics analysis
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Updated
May 27, 2024 - Python
Python toolkit for molecular dynamics analysis
LAMMPS tutorials for both beginners and advanced users
LAMMPS input from lammpstutorials.github.io
Public development project of the LAMMPS MD software package
Collective variables library for molecular simulation and analysis programs
Interfaces for atomistic simulation codes and workflows
Data from recent publications
A deep learning package for many-body potential energy representation and molecular dynamics
Python tools for working with LAMMPS files
JARVIS-Tools: an open-source software package for data-driven atomistic materials design. Publications: https://scholar.google.com/citations?user=3w6ej94AAAAJ
Real time molecular dynamics in the browser using LAMMPS
A project (and object) for storing, manipulating, and converting molecular mechanics data.
Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook
Atomsk: A Tool For Manipulating And Converting Atomic Data Files -
Generating Deep Potential with Python
Package to perform minimum-distance distribution analyses of complex solute-solvent interactions
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