JARVIS-Tools
JSON →jarvis-tools is an open-source Python package for data-driven atomistic materials design, developed by NIST. It provides modules for crystal structure analysis, high-throughput DFT workflows, machine learning descriptors, and access to the JARVIS-DFT and JARVIS-FF databases. Current version is 2026.4.2, released monthly (around end of each month).
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homepagejarvis.nist.gov ↗