pauliacomi / pyGAPS-guiLinks
A Qt graphical user interface for pyGAPS. WIP.
☆21Updated 2 years ago
Alternatives and similar repositories for pyGAPS-gui
Users that are interested in pyGAPS-gui are comparing it to the libraries listed below
Sorting:
- Awesome list of open source tools that can help simulate, treat understand or disseminate adsorption data.☆28Updated 2 years ago
- Python library for generation of MOFs, COFs, Zeolites...☆31Updated 4 years ago
- ☆61Updated 4 years ago
- Force field for ionic liquids☆68Updated 4 months ago
- Kinetic Monte Carlo of Systems (KMCOS): lattice based kinetic Monte Carlo with a python front-end and Fortran back-end.☆23Updated 3 months ago
- ☆106Updated 2 months ago
- Simulates molecular adsorption and diffusion on nanoporous materials.☆18Updated 9 months ago
- PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from…☆54Updated last year
- Deep eutectic solvent force field parameters (OPLS-DES)☆14Updated 3 years ago
- ☆45Updated 5 years ago
- cp2k postprocessing tools☆70Updated 4 months ago
- Python library for the construction of porous materials using topology and building blocks.☆73Updated 4 months ago
- A high performace ReaxFF/AIMD trajectory analysis tool based on graph theory.☆66Updated 2 weeks ago
- Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)☆70Updated last year
- The RASPA plugin for the AiiDA workflow and provenance engine. http://www.aiida.net☆11Updated 2 years ago
- ☆46Updated last week
- Debye's scattering equation & other analysis of atomistic models.☆55Updated last year
- ☆30Updated 2 years ago
- Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs☆40Updated last year
- Classical molecular simulation code☆142Updated last year
- Gromacs to Lammps simulation converter☆86Updated last year
- MPmorph is a collection of tools to run and analyze ab-initio molecular dynamics (AIMD) calculations run with VASP, and is currently unde…☆74Updated last year
- Online resource for a practical course in machine learning for materials research at Imperial College London (MATE70026)☆95Updated last week
- Object-oriented microkinetic modeling package using ASE☆21Updated 2 years ago
- DistMLIP: A Distributed Inference Library for Fast, Large Scale Atomistic Simulation☆84Updated 3 weeks ago
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆53Updated 7 years ago
- Tool to quickly create a composition-based feature vector☆28Updated 3 years ago
- Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).☆26Updated 2 years ago
- General purpose tools for high-throughput catalysis☆96Updated 4 months ago
- ☆60Updated last year