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  1. pdos_gnn pdos_gnn Public

    Predict electonic structure of materials with GNNs

    Jupyter Notebook 1

  2. xtb_md xtb_md Public

    Molecular Dynamics with Quantum Chemistry code (xTB)

    Python

  3. Ainfer Ainfer Public

    Web application which allows users to interact with documents via Large Language Models

    Python

  4. particles_in_a_box particles_in_a_box Public

    Simulation of particle mechanics

    Python 1