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alignn

Atomistic Line Graph Neural Network

alignn-thermal-props

atomvision

Deep learning framework for atomistic image data

boundaryscattering

boundary scattering and strain field scripts

camd

Agent-based sequential learning software for materials discovery

chemnlp

ChemNLP is a software-package to process chemical information from the scientific literature.

christoffel

composite-modeling

dsnights

Code for NU DS nights

jarvis

JARVIS-Tools: an open-source software package for data-driven atomistic materials design

jarvis-tools-notebooks

A Google-Colab Notebook Collection for Materials Design

jarvis_leaderboard

This project benchmarks performances of various methods for materials science applications using the datasets available in JARVIS-Tools databases.

jarvis_leaderboard-1

This project provides benchmark-performances of various methods for materials science applications using the datasets available in JARVIS-Tools databases.

matminer

data mining for Materials Science

multicomponentte

Multicomponent alloy scattering models for thermal and electronic transport

pdscattering

phono3py

A simulation package of phonon-phonon interaction related properties

phono3py-personal

phonopy

Phonon code

piro

Software for evaluating pareto-optimal synthesis pathways

single-multibandmodel

Electronic transport models for single or multiband transport

std2_effmass

Effective mass modeling of StarryData2 data

tecca_gpr

Physics-based GPR to predict thermoelectric properties in a multicomponent alloy space

thegrid

unarybayes

A Bayesian framework for the selection, calibration and uncertainty quantification of thermodynamic property models

uq_in_spb

workshop-2017

Assets for the 2017 Materials Project workshop