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 346 99

  2. maml Public

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

    Python 156 38

  3. matgenb Public

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

    Jupyter Notebook 122 103

  4. mlearn Public archive

    Benchmark Suite for Machine Learning Interatomic Potentials for Materials

    Python 84 21

  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 27

  6. pymatgen-analysis-diffusion Public

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

    Python 42 41

Repositories

  • 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 36 MIT 32 4 11 Updated Mar 10, 2022
  • maml Public

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

    Python 156 BSD-3-Clause 38 4 9 Updated Mar 9, 2022
  • megnet Public

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

    Jupyter Notebook 346 BSD-3-Clause 99 16 3 Updated Mar 8, 2022
  • flamyngo Public

    Flask frontend for MongoDB

    Python 9 BSD-3-Clause 7 0 4 Updated Mar 4, 2022
  • pymatgen-analysis-diffusion Public

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

    Python 42 41 5 6 Updated Mar 2, 2022
  • matgenb Public

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

    Jupyter Notebook 122 BSD-3-Clause 103 1 0 Updated Feb 27, 2022
  • materialsvirtuallab.github.io Public

    A guide to the Materials Virtual Lab

    TeX 4 1 0 0 Updated Feb 26, 2022
  • mlearn Public archive

    Benchmark Suite for Machine Learning Interatomic Potentials for Materials

    Python 84 BSD-3-Clause 21 0 1 Updated Feb 22, 2022
  • 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 Feb 9, 2022
  • nano281 Public

    Data Science for Materials Science

    Jupyter Notebook 37 BSD-3-Clause 17 0 0 Updated Dec 2, 2021
View all repositories

Top languages

Loading…

Most used topics

Loading…