https://github.com/atomgptlab/jarvis

JARVIS-Tools: an open-source software package for data-driven atomistic materials design. Publications: https://scholar.google.com/citations?user=3w6ej94AAAAJ
https://github.com/atomgptlab/jarvis

ai atomistic-simulations dft md

Last synced: 3 months 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

• Host: GitHub
• URL: https://github.com/atomgptlab/jarvis
• Owner: atomgptlab
• Created: 2025-06-23T17:24:58.000Z (12 months ago)
• Default Branch: master
• Last Pushed: 2026-03-21T21:45:31.000Z (3 months ago)
• Last Synced: 2026-03-22T09:57:02.389Z (3 months ago)
• Topics: ai, atomistic-simulations, dft, md
• Language: Python
• Homepage: https://atomgptlab.github.io/jarvis/
• Size: 231 MB
• Stars: 9
• Watchers: 1
• Forks: 0
• Open Issues: 1
• Metadata Files:
  • Readme: README.md
  • 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://atomgptlab.github.io/jarvis-tools/

[![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/atomgptlab/jarvis-tools)](https://github.com/atomgptlab/jarvis-tools)

[![JARVIS-Tools github action](https://github.com/atomgptlab/jarvis/actions/workflows/action_build.yml/badge.svg)](https://github.com/atomgptlab/jarvis/actions/workflows/action_build.yml)

[![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/atomgptlab/jarvis-tools)](https://github.com/atomgptlab/jarvis-tools)

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

[![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://atomgptlab.github.io/jarvis-tools/)

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

Note: This project was originally developed under the github.com/usnistgov organization. New updates and developments will be carried out here.