AlloyInformaticsChargeProfiles_Hydrogen_in_Metals

Repository containing data, python and bash scripts from the publication work on Acta Materialia "Alloy Informatics using Charge Profiles"

Name		Name	Last commit message	Last commit date
Latest commit History 6 Commits
.DS_Store		.DS_Store
.gitattributes		.gitattributes
11_Side_Dataset_OCTA.ipynb		11_Side_Dataset_OCTA.ipynb
11_Side_Dataset_TETRA.ipynb		11_Side_Dataset_TETRA.ipynb
1_ExtractionScript_XSF.sh		1_ExtractionScript_XSF.sh
2_Extraction_cubic_dimension.sh		2_Extraction_cubic_dimension.sh
3_GetCSV_Charges.ipynb		3_GetCSV_Charges.ipynb
4_Remeshing_Charges_OCTA.ipynb		4_Remeshing_Charges_OCTA.ipynb
4_Remeshing_Charges_TETRA.ipynb		4_Remeshing_Charges_TETRA.ipynb
5_LOC_RDF_NOTINT_OCTA.ipynb		5_LOC_RDF_NOTINT_OCTA.ipynb
5_LOC_RDF_NOTINT_TETRA.ipynb		5_LOC_RDF_NOTINT_TETRA.ipynb
Joined_ML-densityonly.ipynb		Joined_ML-densityonly.ipynb
Joined_ML.ipynb		Joined_ML.ipynb
Joined_ML_edited.ipynb		Joined_ML_edited.ipynb
LICENSE		LICENSE
OCTA_DATASET.csv		OCTA_DATASET.csv
RDF_plots.ipynb		RDF_plots.ipynb
README.md		README.md
SolutionE.sh		SolutionE.sh
TETRA_DATASET.csv		TETRA_DATASET.csv
Tables.ipynb		Tables.ipynb

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