materialsproject / fireworks
The Fireworks Workflow Management Repo.
☆372Updated 5 months ago
Alternatives and similar repositories for fireworks:
Users that are interested in fireworks are comparing it to the libraries listed below
- A simple, robust and flexible just-in-time job management framework in Python.☆146Updated last week
- atomate is a powerful software for computational materials science and contains pre-built workflows.☆247Updated 6 months ago
- Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.☆237Updated 6 months ago
- Manipulating VASP files with Python.☆275Updated 2 years ago
- Atomistic Manipulation Toolkit☆80Updated 8 months ago
- The official github mirror of the Abinit repository. We welcome bug fixes and improvements. Note that most of the active developments are…☆210Updated last month
- Open-source library for analyzing the results produced by ABINIT☆118Updated this week
- C library for finding and handling crystal symmetries☆294Updated this week
- quacc is a flexible platform for computational materials science and quantum chemistry that is built for the big data era.☆201Updated this week
- pyiron - an integrated development environment (IDE) for computational materials science.☆380Updated this week
- This repository implements supplementary useful functions for Python that are not part of the standard library. Examples include useful u…☆76Updated last week
- A suite of computational materials science tools.☆131Updated 9 months ago
- atomate2 is a library of computational materials science workflows☆173Updated last week
- Phonon code☆376Updated this week
- Crystal Toolkit is a framework for building web apps for materials science and is currently powering the new Materials Project website.☆160Updated last week
- Specification of a common REST API for access to materials databases☆83Updated 2 months ago
- merges pymatgen, custodian, and FireWorks into a custom workflow for Materials Project☆23Updated 5 years ago
- A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.☆151Updated 10 months ago
- Data mining for materials science☆495Updated last week
- New ASE compliant Python interface to VASP☆123Updated 2 years ago
- Heavyweight plotting tools for ab initio calculations☆210Updated last month
- A code to generate atomic structure with symmetry☆287Updated this week
- The official AiiDA plugin for Quantum ESPRESSO☆57Updated this week
- Python package to aid materials design and informatics☆104Updated this week
- The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field☆322Updated this week
- Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and w…☆73Updated 11 months ago
- Solvation model for the plane wave DFT code VASP.☆144Updated 6 months ago
- A Python library for electronic structure pre/post-processing☆174Updated last week
- jobflow is a library for writing computational workflows.☆98Updated last week
- A toolkit for visualizations in materials informatics.☆184Updated this week