materialyzeai / 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.
☆82Updated last week
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.☆63Updated this week
- Building blocks for scientific data pipelines☆43Updated this week
- jobflow is a library for writing computational workflows.☆116Updated last week
- Tutorials, notebooks, issue tracker, and website on the MPDS API: the data retrieval interface for the Materials Platform for Data Scienc…☆26Updated 3 months ago
- Defect analysis modules for pymatgen☆61Updated this week
- Pymatgen-db provides an addon to the Python Materials Genomics (pymatgen) library (https://pypi.python.org/pypi/pymatgen) that allows the…☆51Updated last week
- pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.☆47Updated this week
- A simple, robust and flexible just-in-time job management framework in Python.☆170Updated this week
- Platform for materials scientists to contribute and disseminate their materials data through Materials Project☆39Updated this week
- ase interface for Quantum Espresso☆22Updated 4 years ago
- Tools for implementing and consuming OPTIMADE APIs in Python☆83Updated this week
- Library for Crystal Symmetry in Rust☆69Updated this week
- Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemis…☆108Updated last week
- Library for Bayesian error estimation functionals for use in density functional theory codes☆28Updated 2 years ago
- AiiDA tutorials web site☆24Updated 3 months ago
- Specification of a common REST API for access to materials databases☆98Updated 3 weeks ago
- General purpose tools for high-throughput catalysis☆100Updated 7 months ago
- NIST Interatomic Potential Repository property calculation tools☆23Updated 5 months ago
- Highly configurable 2D (SVG) & 3D (threejs) visualisations for ASE/Pymatgen structures, within the Jupyter Notebook.☆35Updated 3 years ago
- Pynta - an automated workflow for reaction path exploration on metallic surfaces☆40Updated this week
- ☆23Updated last month
- A repository for the implementation of common workflow interfaces across materials-science codes and plugins☆55Updated last week
- More efficient and faster version of pyscal☆25Updated 8 months ago
- Generating Deep Potential with Python☆71Updated this week
- Atomistic Manipulation Toolkit☆36Updated 4 months ago
- WhereWulff: A semi-autonomous workflow for systematic catalyst surface reactivity under reaction conditions☆32Updated last year
- Generate symmetrized force constants☆26Updated 3 weeks ago
- A computational framework to automate point defect calculations☆38Updated 7 years ago
- A python-based crystal viewer built upon the fresnel and pymatgen libraries.☆16Updated last year
- ☆42Updated this week