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@Molecolab-Pisa

MoLECoLab

MoLECoLab (Modeling Light & Environment in Complex Systems) is a research group at the Department of Chemistry of the University of Pisa.

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  1. OpenMMPol OpenMMPol Public

    an open-source implementation of induced point-dipole polarizable embedding

    Fortran 11 5

  2. diaglib diaglib Public

    A collection of matrix-free iterative eigensolvers

    Fortran 9 6

  3. GPX GPX Public

    Gaussian Process Regression in JAX

    Python 8 1

  4. pyQME pyQME Public

    pyQME is a Package for Open Quantum System Dynamics and spectroscopies simulations in the exciton framework, written in Python 3.

    Python 4 2

  5. excipy excipy Public

    Machine learning models for a fast estimation of excitonic Hamiltonians

    Python 2 1

  6. exat exat Public

    Python 1 1

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