JPDarby

Pinned Repositories

ACE1.jl
Atomic Cluster Expansion for Modelling Invariant Atomic Properties
Language:Julia0 0 00
ACE1x.jl
Experimental features for ACE1.jl
Language:Julia00
ACEfit.jl
Generic Codes for Fitting ACE models
Language:Julia00
ACEHAL
Language:Python0 0 00
ACEworkflows
Workflow Examples for ACE Models
Language:Julia0 0 00
aps-length
Calculate length (number of equivalent words) for APS manuscripts written with LaTeX
Language:Python00
Compressing_BOAD
Language:Jupyter Notebook2 1 00
GAP
Language:Fortran00
lammps
Public development project of the LAMMPS MD software package
Language:C++00
Polynomials4ML.jl
Polynomials for ML: fast evaluation, batching, differentiation
Language:Julia1 0 00

JPDarby's Repositories

JPDarby/Compressing_BOAD
Language:Jupyter Notebook2 1 00
JPDarby/Polynomials4ML.jl
Polynomials for ML: fast evaluation, batching, differentiation
Language:Julia1 0 00
JPDarby/ACE1.jl
Atomic Cluster Expansion for Modelling Invariant Atomic Properties
Language:Julia0 0 00
JPDarby/ACE1x.jl
Experimental features for ACE1.jl
Language:Julia00
JPDarby/ACEfit.jl
Generic Codes for Fitting ACE models
Language:Julia00
JPDarby/ACEHAL
Language:Python0 0 00
JPDarby/ACEworkflows
Workflow Examples for ACE Models
Language:Julia0 0 00
JPDarby/aps-length
Calculate length (number of equivalent words) for APS manuscripts written with LaTeX
Language:Python00
JPDarby/GAP
Language:Fortran00
JPDarby/mace
MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
Language:Python0 0 00
JPDarby/matador
⚗️ matador is an aggregator, manipulator and runner of first-principles calculations, written with a bent towards battery 🔋 electrode materials.
JPDarby/QUIP
libAtoms/QUIP molecular dynamics framework: http://www.libatoms.org
Language:Fortran
JPDarby/soap_turbo
JPDarby/workflow
python workflow toolkit
Language:Python