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A guide to the Materials Virtual Lab
Flask frontend for MongoDB
Veidt is a deep learning library for materials science.
This add-on to pymatgens provides tools for analyzing diffusion in materials.
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.
This repo implements a web application utilizing a deep neural network to predict the formation energies and stability of garnet crystals.
Repository for SNAP model development
Dash repo of user contributed docsets
Course materials for NANO 106 - Crystallography of Materials
Repository for UCSD NANO 266 Quantum Mechanical Modelling of Materials
Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.
Repository for CENG114 Probability and Statistics for Engineers
Pyhull is a Python wrapper to Qhull (http://www.qhull.org/) for the computation of the convex hull, Delaunay triangulation and Voronoi diagram.
Shyue Ping's guidelines for paper writing
Web interface to pymatgen
A place to submit conda recipes before they become fully fledged conda-forge feedstocks
A conda-smithy repository for palettable.
A conda-smithy repository for pydispatcher.
The Fireworks Workflow Management Repo.
C library for finding and handling crystal symmetries
Jupyter notebooks and data for our Chemistry of Materials article "Data-driven First Principles Methods for the Study and Design of Alkali Superionic Conductors"
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.
Derivative structure enumeration library
Python for Lighting
Vasp plugin for fireworks utilizing Fireworks, Custodian and Pymatgen for running High-throughput VASP calculations
An Android Application for the Materials Project
Example Python client for Mendeley's Open API