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  1. numerical-simulation-laboratory numerical-simulation-laboratory Public

    A GitHub repo complete with the exercises from the 2019-2020 Numerical Simulation Laboratory held by Davide Emilio Galli.

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    Attempt to constructing a Restricted Boltzman Machine (RBM) able to predict the first order transition of a G protein [PDB: 1pgb] through his contact maps at various temperature (100-125 GROMACS_RE…

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  3. lovely-autoencoder lovely-autoencoder Public

    My personal attempt to write well designed autoencoders-NNets.

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  4. get-binding-pockets-dataset get-binding-pockets-dataset Public

    A repo with the source code to get a dataset of real binding sites composed by atoms distances matrices and atoms types vectors.

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