materialsvirtuallab / montyLinks
This repository implements supplementary useful functions for Python that are not part of the standard library. Examples include useful utilities like transparent support for zipped files etc.
☆81Updated 2 weeks ago
Alternatives and similar repositories for monty
Users that are interested in monty are comparing it to the libraries listed below
Sorting:
- Be a master builder of databases of material properties. Avoid the Kragle.☆61Updated this week
- Defect analysis modules for pymatgen☆50Updated this week
- A simple, robust and flexible just-in-time job management framework in Python.☆159Updated 2 weeks ago
- 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
- Building blocks for scientific data pipelines☆40Updated this week
- ase interface for Quantum Espresso☆22Updated 4 years ago
- Specification of a common REST API for access to materials databases☆92Updated 2 weeks ago
- jobflow is a library for writing computational workflows.☆104Updated 2 weeks ago
- Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemis…☆100Updated last week
- Library for Bayesian error estimation functionals for use in density functional theory codes☆24Updated 2 years ago
- General purpose tools for high-throughput catalysis☆95Updated 2 months ago
- A repository for the implementation of common workflow interfaces across materials-science codes and plugins☆54Updated 8 months ago
- pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.☆45Updated this week
- Tutorials, notebooks, issue tracker, and website on the MPDS API: the data retrieval interface for the Materials Platform for Data Scienc…☆27Updated 2 months ago
- Python script to plot periodic trends as a heat map over the periodic table of elements☆102Updated last year
- A Python library and command line interface for automated free energy calculations☆81Updated last week
- Atomistic Manipulation Toolkit☆36Updated 2 weeks ago
- Tools for implementing and consuming OPTIMADE APIs in Python☆77Updated this week
- Python package to aid materials design and informatics☆113Updated 2 weeks ago
- Python interface for VASP☆85Updated this week
- The official AiiDA plugin for Quantum ESPRESSO☆65Updated last week
- Statistical Mechanics on Lattices☆82Updated last week
- Library for Crystal Symmetry in Rust☆52Updated last week
- Platform for materials scientists to contribute and disseminate their materials data through Materials Project☆39Updated this week
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆69Updated 2 months ago
- AiiDA tutorials web site☆24Updated 10 months ago
- A Python package for estimating diffusion properties from molecular dynamics simulations.☆70Updated this week
- Generating Deep Potential with Python☆67Updated last week
- An algorithm to match crystal structures atom-to-atom☆52Updated 2 years ago
- ☆67Updated 2 years ago