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

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

    Jupyter Notebook 290 80

  2. matgenb

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

    Jupyter Notebook 114 93

  3. maml

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

    Python 100 24

  4. mlearn Archived

    Benchmark Suite for Machine Learning Interatomic Potentials for Materials

    Python 84 20

  5. pyhull

    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. pymatgen-analysis-diffusion

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

    Python 40 36

Repositories

  • maml

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

    Python 100 BSD-3-Clause 24 1 1 Updated Aug 31, 2021
  • pymatgen-analysis-diffusion

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

    Python 40 36 5 2 Updated Aug 31, 2021
  • monty

    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 32 MIT 29 3 3 Updated Aug 31, 2021
  • nano281

    Data Science for Materials Science

    Jupyter Notebook 31 BSD-3-Clause 15 0 0 Updated Aug 31, 2021
  • megnet

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

    Jupyter Notebook 290 BSD-3-Clause 80 9 11 Updated Aug 31, 2021
  • flamyngo

    Flask frontend for MongoDB

    Python 7 BSD-3-Clause 7 0 2 Updated Aug 30, 2021
  • matgenb

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

    Jupyter Notebook 114 BSD-3-Clause 93 1 0 Updated Aug 28, 2021
  • garnetdnn

    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
  • materialsvirtuallab.github.io

    A guide to the Materials Virtual Lab

    TeX 4 1 0 2 Updated Jul 12, 2021
  • maml-apps-rfxas
    Jupyter Notebook 0 BSD-3-Clause 1 0 0 Updated Mar 31, 2021
View all repositories

People

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

Most used topics

Loading…