@materialsvirtuallab

Materials Virtual Lab

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

  • Repository for CENG114 Probability and Statistics for Engineers

    Jupyter Notebook Updated Feb 24, 2017
  • This add-on to pymatgens provides tools for analyzing diffusion in materials.

    Python 2 2 Updated Feb 23, 2017
  • materials.sh

    Python 1 3 Updated Feb 14, 2017
  • A place to submit conda recipes before they become fully fledged conda-forge feedstocks

    Python 353 Updated Feb 2, 2017
  • 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 10 12 Updated Jan 14, 2017
  • A conda-smithy repository for palettable.

    Shell 3 Updated Jan 11, 2017
  • A conda-smithy repository for pydispatcher.

    Shell 2 Updated Jan 10, 2017
  • The Fireworks Workflow Management Repo.

    JavaScript 54 Updated Dec 21, 2016
  • Flask frontend for MongoDB

    Python 6 1 Updated Dec 17, 2016
  • Web interface to pymatgen

    Python Updated Dec 15, 2016
  • spglib

    Forked from atztogo/spglib

    C library for finding and handling crystal symmetries

    C 14 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 1 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 180 Updated Jul 24, 2016
  • Derivative structure enumeration library

    Fortran 6 Updated Jul 13, 2016
  • Course material for NANO 106 - Crystallography of Materials

    Jupyter Notebook 1 2 Updated Jun 10, 2016
  • Repository for UCSD NANO 266 Quantum Mechanical Modelling of Materials

    Python 2 6 Updated May 31, 2016
  • Python for Lighting

    Updated Feb 13, 2016
  • Pyhull is a Python wrapper to Qhull (http://www.qhull.org/) for the computation of the convex hull, Delaunay triangulation and Voronoi diagram.

    C 39 9 Updated Nov 21, 2015
  • Vasp plugin for fireworks utilizing Fireworks, Custodian and Pymatgen for running High-throughput VASP calculations

    Python 2 4 Updated Aug 3, 2015
  • Phonon code

    Python 32 Updated Sep 8, 2014
  • An Android Application for the Materials Project

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

    Python Updated Aug 15, 2013
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