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Chemistry in Solution and at Interfaces - Computational Chemical Science Center

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  1. workshop-july-2023 workshop-july-2023 Public

    Deep Modeling for Molecular Simulation 2023, four-day in-person workshop, July 11-14, 2023

    Jupyter Notebook 15 14

  2. workshop-july-2022 workshop-july-2022 Public

    Deep Modeling for Molecular Simulation, two-day virtual workshop, July 7-8, 2022

    Jupyter Notebook 48 16

Repositories

Showing 10 of 12 repositories
  • workshop-june-2024 Public Forked from CSIprinceton/workshop-july-2023

    Deep Modeling for Molecular Simulation 2024, four-day in-person workshop, June 25-28, 2024

    CSIprinceton/workshop-june-2024’s past year of commit activity
    Forth 5 14 0 0 Updated Aug 12, 2024
  • mica-water Public
    CSIprinceton/mica-water’s past year of commit activity
    0 0 0 0 Updated May 6, 2024
  • CSI-hacks-and-tricks Public

    This repository contains information for compiling and running software connected to the CSI project

    CSIprinceton/CSI-hacks-and-tricks’s past year of commit activity
    Shell 5 2 0 0 Updated Jan 21, 2024
  • Water_pKw Public
    CSIprinceton/Water_pKw’s past year of commit activity
    Python 0 2 0 0 Updated Nov 29, 2023
  • workshop-july-2023 Public

    Deep Modeling for Molecular Simulation 2023, four-day in-person workshop, July 11-14, 2023

    CSIprinceton/workshop-july-2023’s past year of commit activity
    Jupyter Notebook 15 14 0 0 Updated Jul 14, 2023
  • amor-TiO2-water Public

    Data and NN models for simulating amorphous TiO2 - water interfaces

    CSIprinceton/amor-TiO2-water’s past year of commit activity
    0 0 0 0 Updated May 4, 2023
  • TiO2-Water Public

    This repo contains the training data used to train a Deep Neural Network Potential for the TiO2-Water interface

    CSIprinceton/TiO2-Water’s past year of commit activity
    Fortran 5 3 0 0 Updated Dec 10, 2022
  • data-water-ice-1bar Public

    Data to train a DP model suitable to simulate water and ice Ih at 1 bar

    CSIprinceton/data-water-ice-1bar’s past year of commit activity
    Shell 1 0 0 0 Updated Nov 16, 2022
  • deepmd-kit Public Forked from deepmodeling/deepmd-kit

    A deep learning package for many-body potential energy representation and molecular dynamics

    CSIprinceton/deepmd-kit’s past year of commit activity
    C++ 1 LGPL-3.0 509 0 0 Updated Aug 15, 2022
  • workshop-july-2022 Public

    Deep Modeling for Molecular Simulation, two-day virtual workshop, July 7-8, 2022

    CSIprinceton/workshop-july-2022’s past year of commit activity
    Jupyter Notebook 48 16 1 0 Updated Jul 21, 2022
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