Curated list of known efforts in materials informatics = modern materials science
-
Updated
May 29, 2024
Curated list of known efforts in materials informatics = modern materials science
MTEX is a free Matlab toolbox for quantitative texture analysis. Homepage:
A code to generate atomic structure with symmetry
Advanced Simulation Library - hardware accelerated multiphysics simulation platform.
Computational Crystallography Toolbox
macromolecular crystallography library and utilities
The software ReciPro makes various crystallographic calculations, visualizes a crystal structure, simulates a diffraction pattern and high-resolution TEM image, indexes diffraction spots, plots stereographic projection, and so on.
Automatic generation of crystal structure descriptions.
Analysing crystal orientations and symmetry in Python
Diffraction Integration for Advanced Light Sources
A grain boundary generation code
A library to open/edit/save (crystallographic) Protein Data Bank (PDB) and mmCIF files in Rust.
Debye's scattering equation & other analysis of atomistic models.
On-the-fly generator of space-group irreducible representations
N-Dimensional MD engine with symmetry group constraints
Modeling and Crystallographic Utilities
Data structures, algorithms, and parsing for crystallography
A Python package to work with material microstructures and 3d data sets
Macromolecular viewer for crystallographers (WebGL)
SLICES: An Invertible, Invariant, and String-based Crystal Representation (Text2Crystal)
Add a description, image, and links to the crystallography topic page so that developers can more easily learn about it.
To associate your repository with the crystallography topic, visit your repo's landing page and select "manage topics."