For analysis and modelling of surface characterisation data.
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Updated
Nov 9, 2021 - MATLAB
For analysis and modelling of surface characterisation data.
Convert rotation representations (Fortran version)
A flexible Python library for atomic structure generation.
This repository contains organizational notes and details for the CECAM MADICES workshop, 7th-9th February 2022.
Quantum-CODEX is a proof-of-concept WebApp, CLI and API for sharing, archiving, and annotating computational materials science projects.
Metadata logging and data curation for multidimensional photoemission spectroscopy (MPES)
Paper with code for screening ion and electron insulators (IEIs).
Computational Materials Science Toolkit
An object-oriented Python wrapper for the Machine Learning DYnamics package
nglview wrapper for crystal structure
Data repository for the research paper 'Quasiparticle band structure and excitonic optical response in V2O5 bulk and monolayer'.
Basic info and tutorials for the GUI of the Materials Platform for Data Science (MPDS)
Webinar Talk on Blender and 3D Graphics at the Henry Royce Institute, The University of Manchester, UK
build, analyse and visualise atomistic structures for materials science
Analysis code for Soleil ARPES Data
A simple composition-based feature vectorization utility in Julia
Interface to data on elements of the periodic table
CrystalReader is a program to read and extract data from .castep, .cif and .phonon files, with the potential to be reused to read any kind of data files.
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