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JARVIS-Tools: an open-source software package for data-driven atomistic materials design. Publications: https://scholar.google.com/citations?user=3w6ej94A

Shakenbreak ⭐ 63

Defect structure-searching employing chemically-guided bond distortions

Dealing with slabs for first principles calculations of surfaces

Materials informatics framework for ab initio data repositories

A wrapper for many computational codes of thermal conductivity

Twod_materials ⭐ 14

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

Materials Project Tool : An useful tool for manipulating, analying and visualization input and output of materials simulation codes.

A collaborative Mozilla science project to build a materials science database for calculation results using simulation package VASP

Quantum_esperanto ⭐ 5

Very fast parser for the XML logs produced with the VASP, Vienna Ab initio Simulation Package

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