iRASPA / RASPA2Links
Classical molecular simulation code
☆146Updated last year
Alternatives and similar repositories for RASPA2
Users that are interested in RASPA2 are comparing it to the libraries listed below
Sorting:
- ☆111Updated 3 years ago
- PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from…☆54Updated 2 years ago
- LAMMPS input from lammpstutorials.github.io☆57Updated 2 months ago
- cp2k postprocessing tools☆74Updated last week
- automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs☆162Updated 2 years ago
- Python Cp2k interface☆100Updated 3 years ago
- Gromacs to Lammps simulation converter☆86Updated 2 years ago
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆53Updated 7 years ago
- This software is a general purpose classical simulation package. Online documentation available at:☆81Updated last week
- LAMMPS tutorials for both beginners and advanced users☆129Updated 2 months ago
- Tool to read a logfile produced by LAMMPS into a simple python data structure with a get()-function providing the log data.☆64Updated 9 months ago
- ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.☆152Updated last year
- Tool to build force field input files for molecular simulation☆185Updated last week
- Examples demonstrating how to reproduce the results in the paper.☆68Updated last year
- Tutorials on CP2K calculations☆60Updated 4 years ago
- Software for generating machine-learning interatomic potentials for LAMMPS☆179Updated 2 months ago
- an automatic reaction network generator for reactive molecular dynamics simulation☆95Updated last week
- This add-on to pymatgen provides tools for analyzing diffusion in materials.☆132Updated 2 weeks ago
- Fully validating pure-python CP2K input file tools including preprocessing capabilities☆55Updated last week
- Atomic interaction potentials based on artificial neural networks☆126Updated last week
- NO LONGER UPDATED. Use the official repository.☆85Updated 5 years ago
- ☆39Updated 2 months ago
- Python tools to handle CP2K output files☆45Updated last week
- ☆66Updated 4 years ago
- Benchmark Suite for Machine Learning Interatomic Potentials for Materials☆108Updated 3 years ago
- Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)☆72Updated last year
- Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models☆87Updated 4 years ago
- ☆50Updated last week
- Constant potential method in LAMMPS☆52Updated 2 years ago
- General purpose tools for high-throughput catalysis☆99Updated 7 months ago