hghcomphys Goto Github PK
Name: Hossein Ghorbanfekr
Type: User
Company: VITO
Bio: I'm an ML & HPC researcher at VITO with a passionate about applying deep learning models to molecular simulations.
Location: Antwerp, Belgium
Hossein Ghorbanfekr's Projects
atl
A basic Python utility designed to simplify the process of conducting molecular simulations by input preparation and output analysis.
docker-spawner
This repo shows how to set up a fully containerized jupyterhub service with GPU access.
files-h2o-hbn-nnp
Script files for my paper: "Insights into water permeation through hBN nanoapillaries by ab initio machine learning molecular dynamics simulations"
fmd
Free Molecular Dynamics – a classical molecular dynamics library
graphene-nnp
Interatomic potential development for the monolayer graphene using high-dimensional neutral network.
hghcomphys.github.io
A repo for my personal blog (no longer active).
ljmd-c
Lennard-Jones MD code in C for teaching purposes
md-julia
A simple Lennard-Jones molecular dynamics simulation code in Julia.
minimd
MiniMD Molecular Dynamics Mini-App
ml-deap
Few experiments on Emotion Analysis (DEAP) dataset.
n2p2
n2p2 - A Neural Network Potential Package
nnp
An experimental C++ implementation of high-dminesional neural network potential (HDNNP) for molecular dynamics simulations.
opennn
OpenNN - Open Neural Networks Library
pantea
A Python package for developing machine learning interatomic potentials, based on JAX.
pynnp
A collection of Python scripts dedicated to the development and validation of neural network potentials (NNP).
raspi-hpc-cluster
A repo for setting up a test but scalable HPC cluster using Raspberry Pi.
remote-alarm-system
This is an experimental implementation of a home alarm system utilizing an ESP32 microcontroller.
simulational-physics
A collection of simulations in computational physics and in particular molecular dynamics.
water-nnp
Interatomic potential development for bulk liquid water using high-dimensional neutral network.
weather-monitor-module
This repo shows how to build a wireless weather monitor module using ESP32 microcontroller.
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