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Collection of MD simulations using HOOMD blue

Scripts used in the publication "Assessing structure and disorder prediction tools for de novo emerged proteins in the age of machine learning

Set of small programs that can help to check/handle DomainWorld data.

Dockerfiles for (daily) work with DUNE

MOVED please go to ripcte This project has been quit.

Don't update > source is on Github

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.