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  1. MBX Public

    MBX is an energy and force calculator for data-driven many-body simulations.

    C++ 35 31

  2. MB-Fit Public

    Python 18 10

Repositories

Showing 10 of 19 repositories
  • Data_Repository Public

    Data Repository for the Paesani Lab

    Fortran 7 6 0 0 Updated Dec 3, 2024
  • MBX Public

    MBX is an energy and force calculator for data-driven many-body simulations.

    C++ 35 31 5 1 Updated Sep 18, 2024
  • FitChargesToMultipoles Public

    Small python package that fits charges to reproduce multipoles

    Python 0 GPL-3.0 1 0 0 Updated Jul 14, 2023
  • MB-Fit Public
    Python 18 10 3 0 Updated Jul 6, 2023
  • Roff 2 1 0 0 Updated Apr 25, 2023
  • Roff 1 4 0 0 Updated Apr 26, 2022
  • many-body_reference_energies Public

    This repository contains the reference energies used to train our many-body models.

    2 0 0 0 Updated Nov 12, 2020
  • polarizable_water_models Public

    Supplementary info for: How good are polarizable and flexible models for water: Insights from amany-body perspective

    Shell 1 0 0 0 Updated Jul 2, 2020
  • github-traffic-stats Public

    Save Github Traffic Stats

    Shell 2 2 0 0 Updated Apr 7, 2019
  • docker-images Public
    Python 0 1 0 0 Updated Sep 7, 2018

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