CSI's repositories
workshop-july-2022
Deep Modeling for Molecular Simulation, two-day virtual workshop, July 7-8, 2022
workshop-july-2020
Molecular Simulation with Machine Learning - On-line workshop, July 13-14, 2020
workshop-july-2023
Deep Modeling for Molecular Simulation 2023, four-day in-person workshop, July 11-14, 2023
CSI-hacks-and-tricks
This repository contains information for compiling and running software connected to the CSI project
TiO2-Water
This repo contains the training data used to train a Deep Neural Network Potential for the TiO2-Water interface
amor-TiO2-water
Data and NN models for simulating amorphous TiO2 - water interfaces
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deepmd-kit
A deep learning package for many-body potential energy representation and molecular dynamics
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