João Morado JMorado

• University of Newcastle

• United Kingdom

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1. Python package for calculating XDM (Exchange-hole Dipole Moment) multipole moments using multiple atoms-in-molecules (AIM) partitioning schemes.

   Python 2

2. A Package for Parametrization of Molecular Mechanics Force Fields

   Python 32 4

3. A package for training and patching EMLE models, with routines for fitting LJ parameters.

   Python 5

4. Hybrid ML/MM free energy simulations.

   Python 5