@materialsvirtuallab

Materials Virtual Lab

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

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

    Python 8 9 Updated Aug 15, 2018
  • Dash repo of user contributed docsets

    Python 561 Updated Aug 9, 2018
  • materials.sh

    Python 6 4 BSD-3-Clause Updated Aug 8, 2018
  • Repository for SNAP model development

    AMPL 5 3 BSD-3-Clause Updated Aug 7, 2018
  • Veidt is a deep learning library for materials science.

    Python 4 6 BSD-3-Clause Updated Aug 5, 2018
  • Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.

    Jupyter Notebook 26 23 BSD-3-Clause Updated Jul 24, 2018
  • A guide to the Materials Virtual Lab

    Ruby Updated Jul 20, 2018
  • Flask frontend for MongoDB

    HTML 6 4 BSD-3-Clause Updated Jul 17, 2018
  • 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 18 15 MIT Updated Jul 16, 2018
  • This repo implements a web application utilizing a deep neural network to predict the formation energies and stability of garnet crystals.

    Python BSD-3-Clause Updated Jul 16, 2018
  • Course materials for NANO 106 - Crystallography of Materials

    Jupyter Notebook 10 2 BSD-3-Clause Updated Jun 23, 2018
  • Repository for UCSD NANO 266 Quantum Mechanical Modelling of Materials

    Python 6 10 BSD-3-Clause Updated May 25, 2018
  • Repository for CENG114 Probability and Statistics for Engineers

    Jupyter Notebook 2 BSD-2-Clause Updated Mar 21, 2018
  • Pyhull is a Python wrapper to Qhull (http://www.qhull.org/) for the computation of the convex hull, Delaunay triangulation and Voronoi diagram.

    C 48 15 MIT Updated Jan 7, 2018
  • Shyue Ping's guidelines for paper writing

    TeX Updated Jan 1, 2018
  • Web interface to pymatgen

    Python 1 Updated Jul 22, 2017
  • A place to submit conda recipes before they become fully fledged conda-forge feedstocks

    Python 935 BSD-3-Clause Updated Feb 2, 2017
  • A conda-smithy repository for palettable.

    Shell 1 5 BSD-3-Clause Updated Jan 10, 2017
  • A conda-smithy repository for pydispatcher.

    Shell 4 BSD-3-Clause Updated Jan 10, 2017
  • The Fireworks Workflow Management Repo.

    JavaScript 92 Updated Dec 21, 2016
  • spglib

    Forked from atztogo/spglib

    C library for finding and handling crystal symmetries

    C 1 33 BSD-3-Clause Updated Nov 1, 2016
  • Jupyter notebooks and data for our Chemistry of Materials article "Data-driven First Principles Methods for the Study and Design of Alkali Superionic Conductors"

    Jupyter Notebook 2 3 Updated Sep 8, 2016
  • Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.

    Python 1 284 MIT Updated Jul 24, 2016
  • Derivative structure enumeration library

    Fortran 13 MIT Updated Jul 13, 2016
  • Python for Lighting

    BSD-3-Clause Updated Feb 12, 2016
  • Vasp plugin for fireworks utilizing Fireworks, Custodian and Pymatgen for running High-throughput VASP calculations

    Python 7 5 MIT Updated Aug 3, 2015
  • Phonon code

    Python 1 52 Updated Sep 8, 2014
  • An Android Application for the Materials Project

    Java 1 1 Updated Aug 20, 2013
  • Example Python client for Mendeley's Open API

    Python 1 Updated Aug 15, 2013
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