https://github.com/usnistgov/jarvis

JARVIS-Tools: an open-source software package for data-driven atomistic materials design. Publications: https://scholar.google.com/citations?user=3w6ej94AAAAJ https://www.youtube.com/watch?v=2-XHeC8gbeY
https://github.com/usnistgov/jarvis

ai atomistic-simulations dft lammps materials-informatics md mgi pytorch quantum-computing scikit-learn tensorflow vasp

Last synced: 3 days ago
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JARVIS-Tools: an open-source software package for data-driven atomistic materials design. Publications: https://scholar.google.com/citations?user=3w6ej94AAAAJ https://www.youtube.com/watch?v=2-XHeC8gbeY

• Host: GitHub
• URL: https://github.com/usnistgov/jarvis
• Owner: usnistgov
• License: other
• Created: 2017-06-22T19:34:02.000Z (almost 8 years ago)
• Default Branch: master
• Last Pushed: 2025-02-02T06:01:02.000Z (2 months ago)
• Last Synced: 2025-02-06T09:35:39.400Z (2 months ago)
• Topics: ai, atomistic-simulations, dft, lammps, materials-informatics, md, mgi, pytorch, quantum-computing, scikit-learn, tensorflow, vasp
• Language: Python
• Homepage: https://pages.nist.gov/jarvis/
• Size: 231 MB
• Stars: 327
• Watchers: 26
• Forks: 128
• Open Issues: 47
• Metadata Files:
  • Readme: README.md
  • License: LICENSE.rst
  • Code of conduct: CODE_OF_CONDUCT.md

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README

        
# JARVIS-Tools

The JARVIS-Tools is an open-access software package for atomistic

data-driven materials design. JARVIS-Tools can be used for a) setting up

calculations, b) analysis and informatics, c) plotting, d) database

development and e) web-page development.

Detailed documentation available at: https://pages.nist.gov/jarvis/

[![image](https://badge.fury.io/py/jarvis-tools.svg)](https://pypi.org/project/jarvis-tools/)

[![image](https://anaconda.org/conda-forge/jarvis-tools/badges/version.svg)](https://anaconda.org/conda-forge/jarvis-tools)

[![image](https://img.shields.io/github/v/tag/usnistgov/jarvis)](https://github.com/usnistgov/jarvis)

[![image](https://ci.appveyor.com/api/projects/status/d8na8vyfm7ulya9p/branch/master?svg=true)](https://ci.appveyor.com/project/knc6/jarvis-63tl9)

[![image](https://github.com/usnistgov/jarvis/workflows/JARVIS-Tools%20github%20action/badge.svg)](https://github.com/usnistgov/jarvis)

[![image](https://github.com/usnistgov/jarvis/workflows/JARVIS-Tools%20linting/badge.svg)](https://github.com/usnistgov/jarvis)

[![image](https://img.shields.io/codecov/c/github/knc6/jarvis)](https://codecov.io/gh/knc6/jarvis)

[![image](https://img.shields.io/pypi/dm/jarvis-tools.svg)](https://img.shields.io/pypi/dm/jarvis-tools.svg)

[![image](https://pepy.tech/badge/jarvis-tools)](https://pepy.tech/badge/jarvis-tools)

[![image](https://zenodo.org/badge/DOI/10.5281/zenodo.3903515.svg)](https://doi.org/10.5281/zenodo.3903515)

[![image](https://img.shields.io/github/commit-activity/y/usnistgov/jarvis)](https://github.com/usnistgov/jarvis)

[![image](https://img.shields.io/github/repo-size/usnistgov/jarvis)](https://github.com/usnistgov/jarvis)

[![image](https://img.shields.io/badge/JARVIS-Figshare-Green.svg)](https://figshare.com/authors/Kamal_Choudhary/4445539)

[![image](https://img.shields.io/badge/JARVIS-ToolsDocs-Green.svg)](https://pages.nist.gov/jarvis)

[![image](https://colab.research.google.com/assets/colab-badge.svg)](https://github.com/JARVIS-Materials-Design/jarvis-tools-notebooks)