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Diffraction data analysis application
The home of the McStas (neutrons) and McXtrace (x-rays) Monte-Carlo ray-tracing instrument simulation codes.
Bragg Visualiser is a visualisation tool for students learning about X-ray diffraction. Learning from a textbook with static images is harder than being able to experiment with different values for…
A neural network implementation of Laue Pattern indexing
Line-Profile Analysis Software (LIPRAS), is a graphical user interface for least squares fitting of Bragg peaks in powder diffraction data. For any region of the inputted data, user can choose whic…
LaueNN- neural network training and prediction routine to index single and polycrystalline Laue diffraction patterns
Diffcalc: a diffraction condition calculator for X-ray or neutron diffractometer control
Tools for simulating x-ray diffraction. Detailed documentation is found at the below link.
Symmetry data and utilities related to crystallography and X-ray scattering
Creates shortcuts to virtually every special location or action built into Windows
The modern replacement for Jupyter Notebooks
Quantum Visualization Interacting Toolkit for Ab-initio Simulations
SlothPy aims to become a general utility package for computational molecular magnetism.
Scripts for building GSAS-II conda packages & binaries and dist location for downloading binaries
A Latex template to help formatting 120x90cm posters for Universidade Federal de Goiás - UFG.
The aim of auto-paper is to give you tips, tricks, and tools to accelerate your publication rate and improve publication quality.
BURAI-team / burai
Forked from cationly/buraiBURAI, a GUI system of Quantum ESPRESSO
JARVIS-Tools: an open-source software package for data-driven atomistic materials design. Publications: https://scholar.google.com/citations?user=3w6ej94AAAAJ https://www.youtube.com/watch?v=2-XHeC…
Public development project of the LAMMPS MD software package
Multiple Scattering Theory code for first principles calculations
A cross-platform GUI for youtube-dl made in Electron and node.js
A simple python/numpy script for calculating successive Brillouin zones of lattices.
A collection of scripts for Zotero 7
The FLIP Fluids addon is a tool that helps you set up, run, and render high quality liquid fluid effects all within Blender, the free and open source 3D creation suite.
Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
AI-powered organization and chat assistant for Obsidian