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topological_analysis

Topological analysis for Li local space, site, pathway in crystal structures

transfer-learning-cgcnn

Transfer learning for thermal conductivity (based on CGCNN)

tsne-umap-init

Initialization is critical for preserving global data structure in both t-SNE and UMAP

twod_materials

High throughput workflow tools for characterizing 2D materials in VASP.

uv_us_map

Ultraviolet radiation is an ubiquitous irradiation to human, which is the primary cause of skin cancer.

vasp-catalyst-explorer

voltages-of-battery-electrodes

Using the CGCNN transfer learning model to pridict the voltages of many kinds of metal-ion battery electrodes

vripy

Periodic Voronoi Tesselation of Crystals and Feature Extraction for Quantum Machine Learning in Python

wannier_tools

WannierTools: An open-source software package for novel topological materials. Full documentation:

workshop

The Materials Project Workshop Curriculum

xtal2png

Encode/decode a crystal structure to/from a grayscale PNG image for direct use with image-based machine learning models such as Palette.