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usnistgov avatar

usnistgov/jarvis

0
View on GitHub↗
391 stars·141 forks·Python·7 viewspages.nist.gov/jarvis↗

Jarvis

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.

Features

  • General Tools - Open-source package for data-driven atomistic materials design.

Star history

Star history chart for usnistgov/jarvisStar history chart for usnistgov/jarvis

How this analysis was created: This summary and feature list are AI-generated from collected project material and can contain mistakes. Stars, license and language are imported from GitHub. Inclusion does not mean that we have tested or audited this project. Check the source documentation for any feature you depend on. Learn more on our About page.

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Projects sharing features with Jarvis

These projects share indexed features with Jarvis. Shared tags can include platform or build tooling; verify the primary use case before treating a result as a replacement.
  • deepchem/deepchemdeepchem avatar

    deepchem/deepchem

    6,545View on GitHub↗

    DeepChem is an open-source Python framework for applying deep learning to molecular, chemical, and biological data, serving as a comprehensive toolkit for drug discovery and materials science. At its core, it provides a featurizer-pipeline abstraction that converts raw molecular data into numerical representations, including graph-based molecular structures, SMILES tokenization vocabularies, and disk-sharded dataset persistence for handling large-scale data that exceeds RAM capacity. The framework distinguishes itself through integrated molecular docking workflows that automate pocket detecti

    Pythonbiologydeep-learningdrug-discovery
    View on GitHub↗6,545
  • divelab/airsdivelab avatar

    divelab/AIRS

    780View on GitHub↗

    license-image:https://img.shields.io/badge/license-GPL3.0-green.svg license-url:https://github.com/divelab/AIRS/blob/main/LICENSE contributing-image:https://img.shields.io/badge/contributions-welcome-brightgreen.svg?style=flat

    Jupyter Notebook
    View on GitHub↗780
  • dralgroup/mlatomdralgroup avatar

    dralgroup/mlatom

    148View on GitHub↗

    ](https://pepy.tech/project/mlatom)

    Python
    View on GitHub↗148
  • datamol-io/molfeatdatamol-io avatar

    datamol-io/molfeat

    230View on GitHub↗

    molfeat - the hub for all your molecular featurizers Docs | Homepage

    Python
    View on GitHub↗230
Compare all 11 related projects→

Frequently asked questions

What does usnistgov/jarvis do?

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.

What are the main features of usnistgov/jarvis?

The main features of usnistgov/jarvis are: General Tools.

Which projects share features with usnistgov/jarvis?

Projects with overlapping indexed features include: datamol-io/molfeat — molfeat - the hub for all your molecular featurizers Docs | Homepage. deepchem/deepchem — DeepChem is an open-source Python framework for applying deep learning to molecular, chemical, and biological data,… divelab/airs — [license-image]:https://img.shields.io/badge/license-GPL3.0-green.svg [license-url]:https://github.com/divelab/AIRS/blo… dralgroup/mlatom — ](https://pepy.tech/project/mlatom). libatoms/quip — The QUIP package is a collection of software tools to carry out molecular dynamics simulations. It implements a… materialyzeai/maml — maml (MAterials Machine Learning) is a Python package that aims to provide useful high-level interfaces that make ML…