materialsproject / crystaltoolkitLinks
Crystal Toolkit is a framework for building web apps for materials science and is currently powering the new Materials Project website.
☆181Updated this week
Alternatives and similar repositories for crystaltoolkit
Users that are interested in crystaltoolkit are comparing it to the libraries listed below
Sorting:
- atomate is a powerful software for computational materials science and contains pre-built workflows.☆257Updated last year
- atomate2 is a library of computational materials science workflows☆232Updated last week
- This add-on to pymatgen provides tools for analyzing diffusion in materials.☆123Updated this week
- Heavyweight plotting tools for ab initio calculations☆226Updated 3 months ago
- Automatic generation of crystal structure descriptions.☆123Updated 2 weeks ago
- A simple, robust and flexible just-in-time job management framework in Python.☆159Updated this week
- Electronic transport properties from first-principles calculations☆153Updated this week
- doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…☆198Updated 3 weeks ago
- New API client for the Materials Project☆140Updated last week
- The Materials Project Workshop Curriculum☆116Updated 2 years ago
- CrySPY is a crystal structure prediction tool written in Python.☆134Updated 3 weeks ago
- A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.☆167Updated 2 weeks ago
- Ab initio simulator for thermal transport and lattice anharmonicity☆173Updated last week
- A Python library for electronic structure pre/post-processing☆183Updated last week
- An automatic engine for predicting materials properties.☆160Updated last year
- A simulation package of phonon-phonon interaction related properties☆142Updated this week
- Benchmark Suite for Machine Learning Interatomic Potentials for Materials☆108Updated 3 years ago
- Python package to analyse electron density & electrostatic potential grids☆87Updated last year
- Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.☆257Updated this week
- Python interface for VASP☆85Updated this week
- Python package to aid materials design and informatics☆118Updated this week
- A code to generate atomic structure with symmetry☆328Updated this week
- Phonon anharmonicity analysis from molecular dynamics☆130Updated 9 months ago
- Python Cp2k interface☆96Updated 3 years ago
- The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.☆102Updated last year
- Defect structure-searching employing chemically-guided bond distortions☆98Updated 3 weeks ago
- New ASE compliant Python interface to VASP☆132Updated 3 years ago
- A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures☆138Updated 4 months ago
- Statistical Mechanics on Lattices☆82Updated this week
- Derivative structure enumeration library☆76Updated 8 months ago