Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials Project.
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Jun 4, 2024 - Python
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials Project.
A standalone React.js/Redux based web application for the design and visualization of atomistic materials structures. Used at Mat3ra.com and can be deployed in standalone mode.
Example usage of Exabyte.io platform through its RESTful API: programmatically create materials and modeling workflows, execute simulations on the cloud, analyze data and build machine learning models
Düsseldorf Advanced Material Simulation Kit (Read-only mirror)
A collection of Galaxy-related training material
Materials Design in Javascript (made.js). A JavaScript (Node) library allowing for the creation and manipulation of material structures from atoms up on the web.
MDF-XL is a runtime material editor with a robust JSON preset system.
Elementary Multiperspective Material Ontology (EMMO)
Curated list of known efforts in materials informatics = modern materials science
A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials science.
Open Machine Learning course
DarknessFX Collection of Unreal Engine Materials
Web-based Atomic Viewer by Exabyte. A JavaScript library for 3D atomic visualization and editing enabling the manipulation of material structures from atoms up on the web.
A common repository to define materials that are later used at a GDML geometry. The materials are publicly accessible through the website https://rest-for-physics.github.io/materials/rest.xml. GDML files in REST can access directly that remote address. See also basic-geometries project.
PyRoll rolling simulation framework - core library.
Some programs that I use in my research
A Bayesian global optimization package for material design | Adaptive Learning | Active Learning
The C++ code generates discrete structures and analyses their evolution process on the elements of a Polytopal Cell Complexes (PCCs) represented algebraically as a set of incidence and adjacency matrices
Exabyte.io platform documentation containing a detailed explanation of the entities, and their relationship, as well as a list of hands-on video tutorials.
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