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

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

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@meyerml meyerml commented Jul 25, 2022

Now the the hyperparameters of the GNN are normal parameters of the GNNConditioner init and read as such.

Marcel Meyer added 3 commits July 25, 2022 17:55
fixed the messy kwargs reading in the GNN factory.
ad63350 
Now the the hyperparameters of the GNN are normal parameters of the GNNConditioner __init__ and read as such.
bugfixes for multiple GNNs in a BG
981aedc
this has some stuff for doing docking with host-guest-systems
e6ea78b
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