Materials Science & Engineering; Computational Materials Science; Integrated Computational Materials Engineering; Materials Informatics
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JuliaMatSci/CBFV.jl
JuliaMatSci/CBFV.jl PublicA simple composition-based feature vectorization utility in Julia
Julia
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BestPractices
BestPractices PublicForked from anthony-wang/BestPractices
Things that you should (and should not) do in your Materials Informatics research.
Jupyter Notebook 2
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JuliaMatSci/ADIP2.jl
JuliaMatSci/ADIP2.jl PublicAutomatic Differentiation of Interatomic Potentials with Phonons in Julia: ADIP².jl
Julia 3
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QuantumComputingProblemsSolutions
QuantumComputingProblemsSolutions PublicSolving quantum computing problems in Julia using Sympy.jl within Pluto.jl notebooks
HTML 2
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JuliaMatSci/LearnHartreeFock.jl
JuliaMatSci/LearnHartreeFock.jl PublicLearning how to code a package for solving simple Hartree-Fock electronic structure calculations.
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