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add description
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gwirn committed Aug 1, 2024
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This branch adds functionality to create contact maps (either real distances or binary interacting/not interacting) as dataset which then can be used for training and prediction
it replaces the original coordinate dataset with the contact map dataset
needs an implementation of a method to recreate a structure from contact maps
if that is implemented in a way that it recreates a structure directly as neural net output the physics loss can probably also be used
otherwise one will need to use only the MSE loss or something like Binary Cross-Entropy if the distance matrices are binary

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