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  1. MDorado MDorado Public

    Forked from Paschek-Lab/MDorado

    Python

  2. torsionfit_msca torsionfit_msca Public

    Module to parametrize Torsion under simulated annealing

    Python

  3. MD2NMRDp MD2NMRDp Public

    Tool to calculate Nuclear Magnetic Resonance Dispersion (NMRD) profiles from molecular dynamic simulations.