cesmix-mit

Pinned Repositories

Atomistic.jl
Package that provides a integrated Julia workflow for molecular dyanmics simulations.
Language:Julia15 4 34
AtomisticComposableWorkflows
Provide easy-to-use CESMIX-aligned case studies. Integrate the latest developments of the Julia atomistic ecosystem and state-of-the-art tools.
Language:JetBrains MPS7 4 90
Cairn.jl
Enhanced sampling algorithms for the active learning of machine learning interatomic potentials (ML-IPs), implemented in Julia.
Language:Julia6 4 01
InteratomicBasisPotentials.jl
Extension of InteratomicPotentials.jl that contains machine learning potentials.
Language:Julia4 3 01
InteratomicPotentials.jl
Contains methods and types for a variety interatomic potentials.
Language:Julia27 5 146
LAMMPS.jl
Language:Julia33 10 2111
MDP
Language:C++2 5 20
pod-examples
POD fitting and MD examples to supplement the LAMMPS implementation
Language:Shell2 3 00
PotentialLearning.jl
PotentialLearning.jl: Optimize your atomistic data and interatomic potential models in your molecular dynamic workflows.
Language:Julia21 7 2310
PotentialUQ.jl
Perform UQ for learned potentials
5 4 01

cesmix-mit's Repositories

cesmix-mit/LAMMPS.jl
Language:Julia33 10 2111
cesmix-mit/InteratomicPotentials.jl
Contains methods and types for a variety interatomic potentials.
Language:Julia27 5 146
cesmix-mit/PotentialLearning.jl
PotentialLearning.jl: Optimize your atomistic data and interatomic potential models in your molecular dynamic workflows.
Language:Julia21 7 2310
cesmix-mit/Atomistic.jl
Package that provides a integrated Julia workflow for molecular dyanmics simulations.
Language:Julia15 4 34
cesmix-mit/AtomisticComposableWorkflows
Provide easy-to-use CESMIX-aligned case studies. Integrate the latest developments of the Julia atomistic ecosystem and state-of-the-art tools.
Language:JetBrains MPS7 4 90
cesmix-mit/Cairn.jl
Enhanced sampling algorithms for the active learning of machine learning interatomic potentials (ML-IPs), implemented in Julia.
Language:Julia6 4 01
cesmix-mit/PotentialUQ.jl
Perform UQ for learned potentials
5 4 01
cesmix-mit/InteratomicBasisPotentials.jl
Extension of InteratomicPotentials.jl that contains machine learning potentials.
Language:Julia4 3 01
cesmix-mit/MDP
Language:C++2 5 20
cesmix-mit/pod-examples
POD fitting and MD examples to supplement the LAMMPS implementation
Language:Shell2 3 00
cesmix-mit/FluxUtils.jl
Language:Julia1 2 00
cesmix-mit/Halide
a language for fast, portable data-parallel computation
Language:C++1 0 00
cesmix-mit/MLP
A Julia package for fitting ML potentials
Language:Julia1 2 01
cesmix-mit/TapirSchedulers.jl
Language:Julia1 3 00
cesmix-mit/AtomisticQoIs.jl
Methods for computing expectation-valued quantities of interest (QoIs) from molecular dynamics simulation.
Language:Julia00
cesmix-mit/POD
Language:Julia0 3 10
cesmix-mit/aKMC
Language:Julia0 0
cesmix-mit/allegro
Allegro is an open-source code for building highly scalable and accurate equivariant deep learning interatomic potentials
Language:Python0 0
cesmix-mit/CESMIX
2 0
cesmix-mit/ElectronicStructure.jl
Language:Julia2 0
cesmix-mit/Exasim
Exasim: Generating Discontinuous Galerkin Codes For Extreme Scalable Simulations
Language:C++1 0
cesmix-mit/FitSNAP
Software for generating SNAP machine-learning interatomic potentials
Language:Python0 0
cesmix-mit/HackathonTemplate
cesmix-mit/julia
The Julia Programming Language
Language:Julia2 0
cesmix-mit/lammps
Public development project of the LAMMPS MD software package
Language:C++1 0
cesmix-mit/NestedTasks.jl
Language:Julia2 0
cesmix-mit/Open-Catalyst-Dataset
Workflow for creating and analyzing the Open Catalyst Dataset
Language:Python1 0
cesmix-mit/TapirBenchmarks.jl
Language:Julia5 0
cesmix-mit/TapirBenchmarks2.jl
Language:Julia2 0