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Visualizing the influences of structural features on molecular property prediction with explainable artificial intelligence and evolutionary multiple pattern fingerprints. Project based on Evo-MPF, SHAP and Catboost libaries.
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ag-ohlberger / dune-community / dune-gdt-tutorials
BSD 2-Clause "Simplified" LicenseUpdated -
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Dr. Elias Dohmen / domtree
GNU General Public License v3.0 or laterUpdated -
Lars Albert Eicholt / Structure Predictions De Novo
Creative Commons Zero v1.0 UniversalScripts used in the publication "Assessing structure and disorder prediction tools for de novo emerged proteins in the age of machine learning
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PRIA / rw-noise-model
MIT LicenseUpdated -
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ag-ohlberger / dune-community / dune-xt
BSD 2-Clause "Simplified" LicenseUpdated -
ag-ohlberger / dune-community / dune-gdt
BSD 2-Clause "Simplified" LicenseUpdated -
ag-salinga / baand
GNU General Public License v3.0 or laterUpdated -
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