Skip to content
@materialsvirtuallab

Materials Virtual Lab

The Materials Virtual Lab is dedicated to the application of first principles calculations and informatics to accelerate materials design.

Popular repositories

  1. megnet Public

    Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals

    Jupyter Notebook 300 83

  2. matgenb Public

    Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.

    Jupyter Notebook 116 97

  3. maml Public

    Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.

    Python 110 25

  4. mlearn Public archive

    Benchmark Suite for Machine Learning Interatomic Potentials for Materials

    Python 83 20

  5. pyhull Public

    Pyhull is a Python wrapper to Qhull (http://www.qhull.org/) for the computation of the convex hull, Delaunay triangulation and Voronoi diagram.

    C 82 28

  6. This add-on to pymatgen provides tools for analyzing diffusion in materials.

    Python 42 37

Repositories

  • pymatgen-analysis-diffusion Public

    This add-on to pymatgen provides tools for analyzing diffusion in materials.

    Python 42 37 5 10 Updated Oct 15, 2021
  • monty Public

    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.

    Python 33 MIT 30 3 9 Updated Oct 13, 2021
  • maml Public

    Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.

    Python 110 BSD-3-Clause 25 5 9 Updated Oct 13, 2021
  • megnet Public

    Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals

    Jupyter Notebook 300 BSD-3-Clause 83 10 13 Updated Oct 12, 2021
  • nano281 Public

    Data Science for Materials Science

    Jupyter Notebook 36 BSD-3-Clause 17 0 0 Updated Oct 7, 2021
  • flamyngo Public

    Flask frontend for MongoDB

    Python 7 BSD-3-Clause 7 0 3 Updated Oct 5, 2021
  • materialsvirtuallab.github.io Public

    A guide to the Materials Virtual Lab

    TeX 4 1 0 2 Updated Sep 27, 2021
  • matgenb Public

    Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.

    Jupyter Notebook 116 BSD-3-Clause 97 1 0 Updated Aug 28, 2021
  • garnetdnn Public

    This repo implements a web application utilizing a deep neural network to predict the formation energies and stability of garnet crystals.

    Python 28 BSD-3-Clause 5 1 1 Updated Aug 25, 2021
  • Jupyter Notebook 0 BSD-3-Clause 1 0 0 Updated Mar 31, 2021

People

This organization has no public members. You must be a member to see who’s a part of this organization.