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Original implementation of the EMD (empirical model discrepancy) model comparison criterion

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Short guidelines to get a Python project to PyPI as painlessly as possible

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https://github.com/aldma/combinatorialintegralapproximations.jl • Science 39%

Solving binary approximation problems in Julia

https://github.com/aldringstori/ags • Science 26%

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Config files for my GitHub profile.

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Molecular force field parametrization tool

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MD trajectory analysis using protein-ligand Interaction Fingerprints

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A list of databases, datasets and books/handbooks where you can find materials properties for machine learning applications.

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Material for the BioSimSpace workshop at the upcoming 2022 CCPBioSim Training Week

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binding free energy estimator 2

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Project Page for uBench

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Stable Diffusion web UI