Pinned Repositories
Atomistic.jl
Package that provides a integrated Julia workflow for molecular dyanmics simulations.
Cairn.jl
Enhanced sampling algorithms for the active learning of machine learning interatomic potentials (ML-IPs), implemented in Julia.
exploratory_julia_sessions
Just exploring packages in different ways
GPUMD
Graphics Processing Units Molecular Dynamics
InteratomicBasisPotentials.jl
Extension of InteratomicPotentials.jl that contains machine learning potentials.
InteratomicPotentials.jl
Contains methods and types for a variety interatomic potentials.
lammps
Public development project of the LAMMPS MD software package
LAMMPS.jl
PotentialLearning.jl
An open source Julia library for active learning of interatomic potentials in atomistic simulations of materials. It incorporates elements of bayesian inference, machine learning, differentiable programming, software composability, and high-performance computing.
python-ace
swyant's Repositories
swyant/Atomistic.jl
Package that provides a integrated Julia workflow for molecular dyanmics simulations.
swyant/Cairn.jl
Enhanced sampling algorithms for the active learning of machine learning interatomic potentials (ML-IPs), implemented in Julia.
swyant/exploratory_julia_sessions
Just exploring packages in different ways
swyant/GPUMD
Graphics Processing Units Molecular Dynamics
swyant/InteratomicBasisPotentials.jl
Extension of InteratomicPotentials.jl that contains machine learning potentials.
swyant/InteratomicPotentials.jl
Contains methods and types for a variety interatomic potentials.
swyant/lammps
Public development project of the LAMMPS MD software package
swyant/LAMMPS.jl
swyant/PotentialLearning.jl
An open source Julia library for active learning of interatomic potentials in atomistic simulations of materials. It incorporates elements of bayesian inference, machine learning, differentiable programming, software composability, and high-performance computing.
swyant/python-ace
swyant/research_scratch