Even Marius Nordhagen's repositories
lammps-bulk-benchmark
Benchmark CPUs and GPUs by running molecular dynamics simulations in LAMMPS
generate-parameter-files
Python repository for generating molecular potential files for LAMMPS.
lammps-simulator
Python package for launching LAMMPS simulations
mdlj-python
Molecular dynamics in Python
pytorch-sfid
Computing the Sliding Fréchet Inception Distance between fake and real images with continous labels
fantasy-pl-ai
Forecasting the obtained fantasy premier league points of all players using machine learning. Training data will be taken from https://github.com/vaastav/Fantasy-Premier-League
gomc-wrapper
GPU Optimized Monte Carlo (GOMC) wrapper written in Python for automatized operations
pack-water
Pack water for molecular dynamics simulations. Relies on the packmol library.
avbmc
Monte Carlo package for simulating atoms interacting with non-bonded potentials
CountRings
Count rings in a undirected graph.
evaluate-tip3p-lammps
Evaluate TIP3P potential based on chemical potential and surface tension for various parameter sets
fys4460
Course material FYS4460
gibbs-duhem-integration
Integrate along any coexistence curve using the Gibbs-Duhem equation
hoshen-kopelman
Implementing the Hoshen-Kopelman algorithm to perform clustering on a binary grid. Is intended to work in the same way as scipy.ndimage.label, but with support for periodic boundaries.e
lammps
Public development project of the LAMMPS MD software package
lammps-analyzer
Some tools for for analyzing LAMMPS log files and dump files
lammps-logfile
Tool to read a logfile produced by LAMMPS into a simple python data structure with a get()-function providing the log data.
numba-md
Molecular dynamics simulator written in Python and accelerated by the Numba JIT compiler
python-package-template
Template for python package, including GitHub actions, sphinx documentation and pypi setup
tensornet
Generalized neural network with interface inspired by Keras
tip4p-vapor
Methods for estimating liquid-vapor properties of tip4p-water
towhee-wrapper
Python wrapper for the Towhee MCCCS package for Monte Carlo simulations
trocks
A light-weight C++ code for performing operations (executing commands etc) across the compute nodes of HPC clusters
turbo-computing-machine
Basic integrated classical Monte Carlo and Molecular Dynamics simulator