Pinned Repositories
ACEpotentials.jl
Machine Learning Interatomic Potentials with the Atomic Cluster Expansion
ACEpsi.jl
ACE wave function parameterizations
Polynomials4ML.jl
Polynomials for ML: fast evaluation, batching, differentiation
3DCNN-SUPER-2021-pytorch
ACE1.jl
Atomic Cluster Expansion for Modelling Invariant Atomic Properties
ACEfit.jl
Generic Codes for Fitting ACE models
ACEHAL
mace
MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
PACMAN_ADworkshop
PACMAN Automatic differentiation workshop 2024
torch-dftd
pytorch implementation of dftd2 & dftd3
CheukHinHoJerry's Repositories
CheukHinHoJerry/PACMAN_ADworkshop
PACMAN Automatic differentiation workshop 2024
CheukHinHoJerry/3DCNN-SUPER-2021-pytorch
CheukHinHoJerry/ACE1.jl
Atomic Cluster Expansion for Modelling Invariant Atomic Properties
CheukHinHoJerry/ACEfit.jl
Generic Codes for Fitting ACE models
CheukHinHoJerry/ACEHAL
CheukHinHoJerry/ACEMD.jl
CheukHinHoJerry/Bumper.jl
Bring Your Own Stack
CheukHinHoJerry/CheukHinHoJerry
CheukHinHoJerry/cheukhinhojerry.github.io
CheukHinHoJerry/diff-zoo
Differentiation for Hackers
CheukHinHoJerry/mace
MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
CheukHinHoJerry/torch-dftd
pytorch implementation of dftd2 & dftd3
CheukHinHoJerry/UROP
CheukHinHoJerry/JuLIP.jl
Julia Library for Interatomic Potentials
CheukHinHoJerry/Lux.jl
Explicitly Parameterized Neural Networks in Julia
CheukHinHoJerry/ObjectPools.jl
thread-safe and flexible temporary arrays and object cache for semi-manual memory management
CheukHinHoJerry/Octavian.jl
Multi-threaded BLAS-like library that provides pure Julia matrix multiplication
CheukHinHoJerry/openmm-ml
High level API for using machine learning models in OpenMM simulations
CheukHinHoJerry/openmmtools
A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.
CheukHinHoJerry/Parareal_MD
CheukHinHoJerry/RASPA2
Classical molecular simulation code
CheukHinHoJerry/SMC_DC3