hkneiding

Pinned Repositories

atom-property-table
A non-exhaustive compilation of atom properties up to Roentgenium.
10
compsci-course-2021-project1
Project 1 for the Machine Learning Course in the CompSci PhD program at UiO.
Language:Python01
compsci-course-2021-project2
Project 2 for the Machine Learning Course in the CompSci PhD program at UiO.
Language:Python10
FYS4411-Project2
Restricted Boltzmann Machine study of many-body quantum problems.
Language:Python11
PL-MOGA
Pareto Lighthouse Multiobjective Genetic Algorithm for the de novo design of transition metal complexes.
Language:Python4 1 31
pyemma-workshop-project
Final project for the pyEMMA workshop (Feb 2020)
Language:Jupyter Notebook13
tmQMg-L
Repository for the tmQMg-L dataset files.
Language:Python10 1 02
uxtbpy
An unofficial Python API for the Semiempirical Extended Tight-Binding Program Package (xTB).
Language:Python21
HyDGL
Python parser for generating descriptive graphs from Natural Bond Orbital data ready for use in Graph Neural Networks.
Language:Python72
tmQMg
Repository for the tmQMg dataset files and analysis scripts.
Language:Python94

hkneiding's Repositories

hkneiding/tmQMg-L
Repository for the tmQMg-L dataset files.
Language:Python10 1 02
hkneiding/PL-MOGA
Pareto Lighthouse Multiobjective Genetic Algorithm for the de novo design of transition metal complexes.
Language:Python4 1 31
hkneiding/uxtbpy
An unofficial Python API for the Semiempirical Extended Tight-Binding Program Package (xTB).
Language:Python21
hkneiding/atom-property-table
A non-exhaustive compilation of atom properties up to Roentgenium.
10
hkneiding/compsci-course-2021-project2
Project 2 for the Machine Learning Course in the CompSci PhD program at UiO.
Language:Python10
hkneiding/FYS4411-Project2
Restricted Boltzmann Machine study of many-body quantum problems.
Language:Python11
hkneiding/pyemma-workshop-project
Final project for the pyEMMA workshop (Feb 2020)
Language:Jupyter Notebook13
hkneiding/compsci-course-2021-project1
Project 1 for the Machine Learning Course in the CompSci PhD program at UiO.
Language:Python01
hkneiding/compsci-course-2021-project3
Project 3 for the Machine Learning Course in the CompSci PhD program at UiO.
Language:Python
hkneiding/FYS4411-Project1
Variational Monte Carlo study of many-body quantum problems.
Language:Python
hkneiding/gulp-setup
Test repository for working with node.js and gulp.
Language:JavaScript
hkneiding/hkneiding.github.io
Language:CSS
hkneiding/Particle_Simulation
Softwareproject for Computational Science at FU Berlin WS2017
Language:Python
hkneiding/poisson_solver
Language:Python
hkneiding/skibotn-ml-workshop-2022