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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-salinga / FastAtomStruct
GNU General Public License v3.0 or laterUpdated -
ag-salinga / FixXYZ
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2D Ising model simulation with the Metropolis and Wolff algorithm.
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JupyterHub Service for linking external accounts, spawner mixin for mounting ownCloud folder
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Adrian Brömmelsiek / kaniko-s3-endpoint
Apache License 2.0exact copy of https://github.com/takmatsu/kaniko/tree/s3-endpoint, except for ci
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Code used in the evaluation section of "A Framework for Streaming Volumetric Image Test Data Generation for Out-of-Core Methods".
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Lukas Renelt / master_thesis
BSD 2-Clause "Simplified" LicenseThis repository contains the code to the master's thesis 'Localized Model Order Reduction for transport problems using an optimally stable Petrov-Galerkin method' by Lukas Renelt.
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ag-engwer / mesh-consistency
MIT LicenseUpdated