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fixed the messy kwargs reading in the GNN factory.#63

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meyerml wants to merge 3 commits into
noegroup:mainfrom
meyerml:hotfix
Open

fixed the messy kwargs reading in the GNN factory.#63
meyerml wants to merge 3 commits into
noegroup:mainfrom
meyerml:hotfix

this has some stuff for doing docking with host-guest-systems

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