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  1. tutorials tutorials Public

    Various tutorials about MD setup and analysis, protein-ligand docking, machine learning and lots of other interesting things.

    Jupyter Notebook 35 21

  2. 4D-CHAINS 4D-CHAINS Public

    4D-CHAINS software for protein NMR assignment

    Python 7 2

  3. paper-qa2 paper-qa2 Public

    how to run Paper-QA2 without problems on Linux using Python 3.12

    Python 5 1

  4. keras-neural-graph-fingerprint keras-neural-graph-fingerprint Public

    Forked from keiserlab/keras-neural-graph-fingerprint

    Keras implementation of Neural Graph Fingerprints as proposed by Duvenaud et al., 2015

    Python 4

  5. nmr_peak_picker nmr_peak_picker Public

    Automated Peak Picking for High-Dimensional NMR Spectra

    Python 4

  6. keras-molecules keras-molecules Public

    Python 3 3

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April 2025

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