hsulab

See README.md ->

Queen's University BelfastUK

Pinned Repositories

accelerate-metadynamics
Accelerating Metadynamics-Based Free-Energy Calculations with Adaptive Machine Learning Potentials
Language:Python13 2 02
active-learning-md
Active learning workflow developed as a part of the upcoming article "Machine Learning Inter-Atomic Potentials Generation Driven by Active Learning: A Case Study for Amorphous and Liquid Hafnium dioxide"
Language:Python0 1 00
amptorch
AMPtorch: Atomistic Machine Learning Package (AMP) - PyTorch
Language:C++0 1 00
astroconfig
Language:Lua0 1 00
astroconfig4
Language:Lua0 1 00
AtomicGallery
Few scripts for drawing atomic structures
Language:Python0 2 00
DailyScripts
Some scripts used frequently in my daily research work ...
Language:Python3 2 00
GDPy
Generating Deep Potential with Python
Language:Python64 2 19
MatrixFactorization
Thesis for Applied Mathematics - Polar Decomposition for 3x3 Matrix
Language:MATLAB2 1 00
snippets
Language:C++0 2 00

hsulab's Repositories

hsulab/gaft
A Genetic Algorithm Framework in Python
hsulab/BEPy
Language:Shell