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200 public repositories
matching this topic...
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.
Library for Crystal Symmetry in Rust
Computational Crystallography Toolbox
Updated
Aug 2, 2024
Python
macromolecular crystallography library and utilities
This is the main repo for the CXLS hit finder model.
Updated
Aug 2, 2024
Python
An expert system for automated reduction of X-ray diffraction data from macromolecular crystals
Updated
Aug 2, 2024
Python
The Swiss Army knife for carbohydrate structure validation, refinement and analysis
MTEX is a free Matlab toolbox for quantitative texture analysis. Homepage:
Updated
Aug 2, 2024
MATLAB
New home for GSAS-II, for crystallographic and diffraction-based structural characterization of materials
Updated
Aug 2, 2024
Python
A Python package for extracting and simulating diffuse scattering of X-rays in protein crystals
Updated
Aug 2, 2024
Python
Diffraction Integration for Advanced Light Sources
Updated
Aug 2, 2024
Python
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.
Updated
Aug 3, 2024
Python
A code to generate atomic structure with symmetry
Updated
Jul 31, 2024
Python
Minimalistic and fast HTML5 visualization of chemical structures in CIF, POSCAR, and OPTIMADE formats
Updated
Jul 31, 2024
TypeScript
Set of Digital Micrograph, Matlab and Python tools for the acquisition and pre-processing of Electron Diffraction data
Updated
Jul 31, 2024
Assembly
A CIF file finalizer for small molecule crystallography with as much automation as possible.
Updated
Jul 31, 2024
Python
my crystallographic toolbox
Updated
Jul 31, 2024
Python
SpecXY is a user-friendly software solution for preparing, editing, extracting and comparing (spatially resolved) spectral datasets
Updated
Jul 30, 2024
MATLAB
On-the-fly generator of space-group irreducible representations
Updated
Jul 29, 2024
Python
Automatic generation of crystal structure descriptions.
Updated
Jul 29, 2024
Python
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