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:
- Make periodic table map plots and pettifor-style trend plots.☆28Updated 7 years ago
- NIST Interatomic Potential Repository property calculation tools☆24Updated last year
- A physics computational framework for python and ipython☆38Updated last week
- Python scripts to manage and postprocess quantum espresso and yambo calculation.☆16Updated this week
- Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and w…☆75Updated last year
- A module for ASE for elastic constants calculation.☆46Updated 5 months ago
- Pymatgen-db provides an addon to the Python Materials Genomics (pymatgen) library (https://pypi.python.org/pypi/pymatgen) that allows the…☆50Updated last week
- First-principles statistical mechanical software for the study of multi-component crystalline solids☆113Updated last year
- Python framework for generating and validating pseudo potentials☆44Updated last year
- Assets for the Materials Project workshop in Aug 2016☆12Updated 8 years ago
- Course materials for NANO 106 - Crystallography of Materials☆35Updated 3 years ago
- Open-source library for analyzing the results produced by ABINIT☆121Updated this week
- A simulation package of phonon-phonon interaction related properties☆140Updated this week
- 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…☆69Updated last month
- AiiDA plugin of the high-performance density functional theory code JuKKR (www.judft.de) for high-throughput electronic structure calcula…☆14Updated 2 months ago
- Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS☆86Updated last month
- A simple, robust and flexible just-in-time job management framework in Python.☆159Updated last week
- Crystal structure container and parsers for structure formats.☆35Updated 3 weeks ago
- Toolkit using the Atomistic Simulation Environment (ASE)☆19Updated 5 years ago
- High throughput workflow tools for characterizing 2D materials in VASP.☆22Updated 2 years ago
- ase interface for Quantum Espresso☆68Updated 5 years ago
- Python Materials Discovery Framework☆74Updated last year
- Materials informatics framework for ab initio data repositories☆18Updated 2 years ago
- GUI4dft - first free SIESTA oriented GUI☆25Updated last month
- Examples of using the Atomic Simulation Environment☆35Updated 9 years ago
- A collection of crystal structures from first-principles simulations☆34Updated 5 years ago
- python enhancements of ase.calculators.vasp☆28Updated 9 years ago
- Band structure plots using pymatgen and a rgb scale to look at atomic or orbital contributions.☆46Updated 7 years ago
- A real-space DFT code☆16Updated 4 years ago