andeplane / atomify
Real time molecular dynamics in the browser using LAMMPS
☆54Updated 3 weeks ago
Alternatives and similar repositories for atomify:
Users that are interested in atomify are comparing it to the libraries listed below
- GOMC - GPU Optimized Monte Carlo is a parallel molecular simulation code designed for high-performance simulation of large systems☆78Updated last week
- LAMMPS input from lammpstutorials.github.io☆32Updated 4 months ago
- A scalable and versatile library to generate representations for atomic-scale learning☆80Updated last year
- LAMMPS tutorials for both beginners and advanced users☆107Updated 2 months ago
- Code to compute Onsager transport coefficients from molecular dynamics simulations using mean-square displacements.☆24Updated 3 years ago
- Python tools to handle CP2K output files☆37Updated last week
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆51Updated 6 years ago
- Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)☆58Updated 6 months ago
- KIM-based Learning-Integrated Fitting Framework for interatomic potentials.☆34Updated 2 weeks ago
- JAX-ReaxFF: A Gradient Based Framework for Extremely Fast Optimization of Reactive Force Fields☆58Updated 4 months ago
- Conversion tool for molecular simulations☆193Updated 8 months ago
- Python Cp2k interface☆92Updated 2 years ago
- Constant potential method in LAMMPS☆49Updated last year
- Gromacs to Lammps simulation converter☆72Updated last year
- MDAnalysis wrapper around Packmol☆29Updated last year
- Free energy perturbation in LAMMPS.☆23Updated 3 years ago
- pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.☆45Updated this week
- ☆106Updated 2 years ago
- Dflow is a Python framework for constructing scientific computing workflows (e.g. concurrent learning workflows) employing Argo Workflows…☆65Updated last month
- Python code for learning Molecular Dynamics simulations☆52Updated 4 years ago
- cp2k postprocessing tools☆65Updated last week
- PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from…☆50Updated last year
- Examples demonstrating how to reproduce the results in the paper.☆51Updated 3 months ago
- Software Suite for Advanced General Ensemble Simulations☆86Updated last year
- VMD plugin for manipulating topology information☆35Updated last month
- code for single-ended and double-ended molecular GSM☆55Updated 3 weeks ago
- Official public repository for the XtalOpt crystallographic multi-objective evolutionary algorithm☆40Updated 7 months ago
- a python package for the interfacial analysis of molecular simulations☆83Updated this week
- A GROMACS implementation of the ClayFF force field☆32Updated 2 years ago
- updated constant potential plugin for LAMMPS☆38Updated 2 years ago