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5 search results found

Sqsgenerator ⭐ 28

A command line tool written in Python/C++ for finding optimized SQS structures

Enumerate derivative structures

Tightbinder ⭐ 9

General purpose Slater-Koster tight-binding library for electronic structure calculations

A no-programming Machine Learning platform for Material Design

Metallurgy ⭐ 7

Calculates approximate properties of alloy compositions

Nudge Elastic Band Vasp ⭐ 6

NEB technique for HEAs

Railml Utilities ⭐ 5

railML validation tool

Structures of Alloy Generation And Recognition

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