materialsproject / MPWorks
merges pymatgen, custodian, and FireWorks into a custom workflow for Materials Project
☆23Updated 5 years ago
Alternatives and similar repositories for MPWorks
Users that are interested in MPWorks are comparing it to the libraries listed below
Sorting:
- Examples of using the Atomic Simulation Environment☆34Updated 9 years ago
- Python framework for generating and validating pseudo potentials☆44Updated last year
- Materials informatics framework for ab initio data repositories☆18Updated 2 years ago
- Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and w…☆75Updated last year
- A collection of structures, force constants and phonon data obtained from first-principles calculations☆40Updated 4 years ago
- NIST Interatomic Potential Repository property calculation tools☆23Updated last year
- A collection of crystal structures from first-principles simulations☆32Updated 5 years ago
- Python package to analyse electron density & electrostatic potential grids☆87Updated last year
- Pymatgen-db provides an addon to the Python Materials Genomics (pymatgen) library (https://pypi.python.org/pypi/pymatgen) that allows the…☆50Updated last week
- python enhancements of ase.calculators.vasp☆28Updated 8 years ago
- Python-based Fermi-Löwdin orbital self-interaction-correction☆23Updated 2 years ago
- A module for ASE for elastic constants calculation.☆41Updated 3 months ago
- Python Materials Discovery Framework☆71Updated last year
- Python scripts to manage and postprocess quantum espresso and yambo calculation.☆16Updated last week
- A simulation package of phonon-phonon interaction related properties☆137Updated this week
- Make periodic table map plots and pettifor-style trend plots.☆28Updated 7 years ago
- A physics computational framework for python and ipython☆38Updated last year
- A set of useful tools for Quantum ESPRESSO☆33Updated 5 months ago
- A simple, robust and flexible just-in-time job management framework in Python.☆156Updated this week
- High throughput workflow tools for characterizing 2D materials in VASP.☆21Updated last year
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆68Updated 9 months ago
- Crsytal simulation tools☆10Updated last month
- Fermi surface generation, analysis and visualisation.☆95Updated last month
- VASP subtool to draw Fermi-Surface; creates input file for Xcrysden☆37Updated 2 years ago
- Open-source library for analyzing the results produced by ABINIT☆120Updated this week
- MatID is a python package for identifying and analyzing atomistic systems based on their structure. MatID is designed to help researchers…☆23Updated last year
- A test suite for the VASP electronic structure code☆38Updated 11 years ago
- Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS☆85Updated last year
- A wrapper for many computational codes of thermal conductivity☆25Updated 2 years ago
- A Basic Symmetry Module (Python)☆17Updated last month