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.
A flexible Python library for atomic structure generation.
ImageJ macros and plugins.
Quantum-CODEX is a proof-of-concept WebApp, CLI and API for sharing, archiving, and annotating computational materials science projects.
Data and Codes for Experimentally Validated Inverse design of Multi-Property Fe-Co-Ni alloys
Analysis code for Soleil ARPES Data
How-To Setup for Dislocation Dynamics (MODEL Library)
Scripts related to the Large-scale Atomic Molecular Massively Parallel Simulator
A simple composition-based feature vectorization utility in Julia
A spin-off code of the 'Voronoi PCC Analyser' software project. Created as a simulation tool for nucleation-and-growth (NAG) structure evolution processes based on the discrete combinatorial representation of 2D and 3D polycrystalline materials.
Metadata logging and data curation for multidimensional photoemission spectroscopy (MPES)
Paper with code for screening ion and electron insulators (IEIs).
An object-oriented Python wrapper for the Machine Learning DYnamics package
Webinar Talk on Blender and 3D Graphics at the Henry Royce Institute, The University of Manchester, UK
Project: Z-NEV is a global, open source collaboration to design and build a modular zero-net energy vessel. All are welcome.
Demonstrates the `beams` Python package as a beam calculator
Reproducing classical machine learning models for predicting the heat capacity of solid inorganics based on Anthony Wang BestPractices repository.
SynCheck is a web interface for the Text Mining Pipeline that processes synthesis text, extracts information about targets, precursors and synthesis operations, and constructs synthesis graph.
Blogging using Pluto.jl notebooks.
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