Materials Virtual Lab

Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals

materialsvirtuallab

Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.

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Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.

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Benchmark Suite for Machine Learning Interatomic Potentials for Materials

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This repo implements a web application utilizing a deep neural network to predict the formation energies and stability of garnet crystals.

materialsvirtuallab

Materials graph network with 3-body interactions featuring a DFT surrogate crystal relaxer and a state-of-the-art property predictor.

materialsvirtuallab

This repository implements supplementary useful functions for Python that are not part of the standard library. Examples include useful utilities like transparent support for zipped files etc.

materialsvirtuallab

Course materials for NANO 106 - Crystallography of Materials

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Repository for UCSD NANO 266 Quantum Mechanical Modelling of Materials

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Data Science for Materials Science

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