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aflowlib.org
Aflow - Automatic FLOW for Materials Discovery
AFlow - Automatic - FLOW for Materials Discovery
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Open Science Platform designed to enable seamless sharing of resources in computational materials science.
NIST-JARVIS
The JARVIS (Joint Automated Repository for Various Integrated Simulations) is an infrastructure designed to automate materials discovery and optimization using classical force-field, density functional theory, machine learning, quantum computation calculations and experiments.