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    19 repositories

    • Data_Repository

      Public
      Data Repository for the Paesani Lab
      Fortran
      •6•7•0•0•Updated Dec 3, 2024Dec 3, 2024

    • MBX

      Public
      MBX is an energy and force calculator for data-driven many-body simulations.
      C++
      •
      Other
      •32•31•5•1•Updated Sep 18, 2024Sep 18, 2024

    • FitChargesToMultipoles

      Public
      Small python package that fits charges to reproduce multipoles
      Python
      •
      GNU General Public License v3.0
      •1•0•0•0•Updated Jul 14, 2023Jul 14, 2023

    • MB-Fit

      Public
      Python
      •
      Other
      •10•18•3•0•Updated Jul 6, 2023Jul 6, 2023

    • Quantum-phase-diagram-of-water

      Public
      Roff
      •1•0•0•0•Updated Apr 25, 2023Apr 25, 2023

    • TIP4P-Ice-Phase-Diagram

      Public
      Roff
      •4•0•0•0•Updated Apr 26, 2022Apr 26, 2022

    • many-body_reference_energies

      Public
      This repository contains the reference energies used to train our many-body models.
      0•2•0•0•Updated Nov 12, 2020Nov 12, 2020

    • polarizable_water_models

      Public
      Supplementary info for: How good are polarizable and flexible models for water: Insights from amany-body perspective
      Shell
      •0•1•0•0•Updated Jul 2, 2020Jul 2, 2020

    • github-traffic-stats

      Public
      Save Github Traffic Stats
      Shell
      •2•2•0•0•Updated Apr 7, 2019Apr 7, 2019

    • docker-images

      Public
      Python
      •1•0•0•0•Updated Sep 7, 2018Sep 7, 2018

    • boinc

      Public
      Documentation and configuration files for Molecules@Home
      Python
      •0•0•0•0•Updated Jun 5, 2018Jun 5, 2018

    • mbpol_cuda_devel

      Public
      Cuda
      •4•1•0•0•Updated Nov 20, 2017Nov 20, 2017

    • mbpol_benchmark_3body_polynomials

      Public
      Cuda
      •0•0•0•0•Updated Sep 20, 2016Sep 20, 2016

    • mbpol_openmm_plugin_conda_recipe

      Public
      A place to submit conda recipes before they become fully fledged conda-forge feedstocks
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •5k•0•0•0•Updated May 11, 2016May 11, 2016

    • mbpol_i-pi

      Public
      0•0•0•0•Updated May 3, 2016May 3, 2016

    • mbpol_benchmark_polynomials

      Public
      C++
      •0•0•0•0•Updated Nov 3, 2015Nov 3, 2015

    • 2015-07-14-paesanilab-python

      Public
      Python
      •0•0•0•0•Updated Jul 14, 2015Jul 14, 2015

    • PyTopol

      Public
      A library for converting molecular topologies
      Python
      •
      GNU General Public License v3.0
      •6•0•0•0•Updated May 20, 2015May 20, 2015

    • 1D_Oscillator_CMD

      Public
      C++
      •
      MIT License
      •1•0•0•1•Updated Aug 29, 2014Aug 29, 2014