iRASPA / RASPA2Links
Classical molecular simulation code
☆152Updated last year
Alternatives and similar repositories for RASPA2
Users that are interested in RASPA2 are comparing it to the libraries listed below
Sorting:
- ☆112Updated 3 years ago
- automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs☆162Updated 2 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
- cp2k postprocessing tools☆75Updated last month
- ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.☆152Updated last year
- Python Cp2k interface☆100Updated 3 years ago
- This software is a general purpose classical simulation package. Online documentation available at:☆86Updated this week
- ☆67Updated 4 years ago
- Gromacs to Lammps simulation converter☆87Updated 2 years ago
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆53Updated 7 years ago
- Tool to read a logfile produced by LAMMPS into a pandas dataframe with a get_log("log.lammps")-function providing the log data.☆64Updated last week
- Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)☆73Updated last year
- A Python library and command line interface for automated free energy calculations☆86Updated last month
- Examples demonstrating how to reproduce the results in the paper.☆70Updated last year
- Generating Deep Potential with Python☆71Updated last week
- On-the-fly calculation of Transport Properties☆27Updated 2 years ago
- This add-on to pymatgen provides tools for analyzing diffusion in materials.☆133Updated 2 weeks ago
- Tutorials on CP2K calculations☆61Updated 4 years ago
- Python package to aid materials design and informatics☆129Updated last week
- Benchmark Suite for Machine Learning Interatomic Potentials for Materials☆109Updated 3 years ago
- A... M... L...☆53Updated 3 years ago
- Software for generating machine-learning interatomic potentials for LAMMPS☆179Updated 3 months ago
- Tool to build force field input files for molecular simulation☆185Updated 2 weeks ago
- Automatic generation of crystal structure descriptions.☆127Updated last week
- ☆62Updated last year
- Atomic interaction potentials based on artificial neural networks☆126Updated last month
- NO LONGER UPDATED. Use the official repository.☆85Updated 5 years ago
- Code for automated fitting of machine learned interatomic potentials.☆133Updated last week
- General purpose tools for high-throughput catalysis☆100Updated 8 months ago
- LAMMPS input from lammpstutorials.github.io☆58Updated 3 months ago