materialsproject / custodianLinks
A simple, robust and flexible just-in-time job management framework in Python.
☆159Updated 2 weeks ago
Alternatives and similar repositories for custodian
Users that are interested in custodian 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
- A simulation package of phonon-phonon interaction related properties☆140Updated this week
- Heavyweight plotting tools for ab initio calculations☆225Updated 2 months ago
- A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.☆167Updated this week
- A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures☆137Updated 3 months ago
- Electronic transport properties from first-principles calculations☆153Updated 2 weeks ago
- doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…☆197Updated last week
- Pymatgen-db provides an addon to the Python Materials Genomics (pymatgen) library (https://pypi.python.org/pypi/pymatgen) that allows the…☆50Updated 2 weeks ago
- atomate2 is a library of computational materials science workflows☆231Updated this week
- Ab initio simulator for thermal transport and lattice anharmonicity☆173Updated 3 weeks ago
- Solvation model for the plane wave DFT code VASP.☆157Updated last year
- Benchmark Suite for Machine Learning Interatomic Potentials for Materials☆108Updated 3 years ago
- Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and w…☆75Updated last year
- This add-on to pymatgen provides tools for analyzing diffusion in materials.☆122Updated 2 weeks ago
- A Python library for electronic structure pre/post-processing☆183Updated this week
- Python Cp2k interface☆95Updated 3 years ago
- General purpose tools for high-throughput catalysis☆95Updated 2 months ago
- Phonon anharmonicity analysis from molecular dynamics☆130Updated 8 months ago
- The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.☆101Updated 11 months ago
- A plugin to AiiDA for running simulations with VASP☆55Updated last week
- Derivative structure enumeration library☆75Updated 8 months ago
- New ASE compliant Python interface to VASP☆132Updated 3 years ago
- Python package to analyse electron density & electrostatic potential grids☆87Updated last year
- Specification of a common REST API for access to materials databases☆92Updated 2 weeks ago
- A repository for the implementation of common workflow interfaces across materials-science codes and plugins☆54Updated 8 months ago
- Python package to aid materials design and informatics☆113Updated 2 weeks ago
- Open-source library for analyzing the results produced by ABINIT☆121Updated last week
- Be a master builder of databases of material properties. Avoid the Kragle.☆61Updated this week
- Atomistic Manipulation Toolkit☆90Updated 2 weeks ago
- Python interface for VASP☆85Updated this week