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Atomsk: A Tool For Manipulating And Converting Atomic Data Files -

Thermo_pw ⭐ 47

Thermo_pw is a driver of quantum-ESPRESSO routines for the automatic computation of ab-initio material properties.

Express.jl ⭐ 21

Express: a high-level, extensible workflow framework for accelerating ab initio calculations for the materials science community

Materials informatics framework for ab initio data repositories

Quantumespressobase.jl ⭐ 13

Provides basic data structures and helpful functions for manipulating structures, generating input files, pre-running error checks, etc.

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