materialsproject / MPWorksLinks
merges pymatgen, custodian, and FireWorks into a custom workflow for Materials Project
☆24Updated 6 years ago
Alternatives and similar repositories for MPWorks
Users that are interested in MPWorks are comparing it to the libraries listed below
Sorting:
- Materials informatics framework for ab initio data repositories☆18Updated 3 years ago
- Open-source library for analyzing the results produced by ABINIT☆126Updated this week
- Python framework for generating and validating pseudo potentials☆46Updated last year
- Pymatgen-db provides an addon to the Python Materials Genomics (pymatgen) library (https://pypi.python.org/pypi/pymatgen) that allows the…☆51Updated 2 weeks ago
- NIST Interatomic Potential Repository property calculation tools☆24Updated last month
- Make periodic table map plots and pettifor-style trend plots.☆28Updated 7 years ago
- A physics computational framework for python and ipython☆38Updated 2 months ago
- Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and w…☆76Updated last year
- First-principles statistical mechanical software for the study of multi-component crystalline solids☆115Updated last year
- A wrapper for many computational codes of thermal conductivity☆26Updated 3 years ago
- A module for ASE for elastic constants calculation.☆46Updated 7 months ago
- Crystal structure container and parsers for structure formats.☆35Updated last month
- A simulation package of phonon-phonon interaction related properties☆145Updated this week
- Python Materials Discovery Framework☆75Updated last year
- A Python library to calculate elastic properties of materials.☆59Updated last month
- Fermi surface generation, analysis and visualisation.☆95Updated 2 weeks ago
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆70Updated 4 months ago
- Python scripts to manage and postprocess quantum espresso and yambo calculation.☆16Updated this week
- ase interface for Quantum Espresso☆68Updated 5 years ago
- Course materials for NANO 106 - Crystallography of Materials☆36Updated 3 years ago
- Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS☆88Updated 3 months ago
- A simple, robust and flexible just-in-time job management framework in Python.☆160Updated this week
- ELATE: Elastic tensor analysis☆84Updated this week
- A collection of command line utilities for manipulating VASP input / outpu☆25Updated 3 years ago
- Tutorials, notebooks, issue tracker, and website on the MPDS API: the data retrieval interface for the Materials Platform for Data Scienc…☆26Updated 2 weeks ago
- Band structure plots using pymatgen and a rgb scale to look at atomic or orbital contributions.☆46Updated 7 years ago
- Atomistic Manipulation Toolkit☆91Updated last month
- Toolkit using the Atomistic Simulation Environment (ASE)☆20Updated 5 years ago
- High-Throughput Computational Physics Framework☆13Updated 7 years ago
- Examples of using the Atomic Simulation Environment☆37Updated 9 years ago