Pinned Repositories
ACE.jl
Approximation of Symmetric Functions with Polynomials and Spherical Harmonics
aenet
Atomic interaction potentials based on artificial neural networks
aepy
Python wrapper for aenet fortran routines.
AITBreg
Julia registry for AITB and its dependent packages.
ann-examples
ANN Tests on Julia, Lua/Torch, Python
APSOgenEAM
EAM Potential Generator with Adaptive Particle Swarm Optimization (APSO) using MPI Parallelization
ASE.jl
Julia Bindings for Atomic Simulation Environment
AtomNeighbors
dftbplus
DFTB+ general package for performing fast atomistic simulations
InterdisciplinaryComputing
Resources for IATL module on Interdisciplinary Modelling and Computing
berkonat's Repositories
berkonat/APSOgenEAM
EAM Potential Generator with Adaptive Particle Swarm Optimization (APSO) using MPI Parallelization
berkonat/ACE.jl
Approximation of Symmetric Functions with Polynomials and Spherical Harmonics
berkonat/aenet
Atomic interaction potentials based on artificial neural networks
berkonat/aepy
Python wrapper for aenet fortran routines.
berkonat/AITBreg
Julia registry for AITB and its dependent packages.
berkonat/ann-examples
ANN Tests on Julia, Lua/Torch, Python
berkonat/ASE.jl
Julia Bindings for Atomic Simulation Environment
berkonat/AtomNeighbors
berkonat/dftbplus
DFTB+ general package for performing fast atomistic simulations
berkonat/InterdisciplinaryComputing
Resources for IATL module on Interdisciplinary Modelling and Computing
berkonat/jax-md
Differentiable, Hardware Accelerated, Molecular Dynamics
berkonat/julia-ml-examples
Examples for Machine Learning in Julia
berkonat/MLIPTutorials
MLIP Tutorials
berkonat/openkim-INN
Implanted Neural Network Potential
berkonat/ParmEd
Parameter/topology editor and molecular simulator
berkonat/PlotDocs.jl
Documentation for Plots.jl
berkonat/poten
berkonat/pymf
Python Matrix Factorization Module
berkonat/pymolfile
PyMolfile
berkonat/SOAPLite
Fast lightweight SOAP implementation for machine learning in quantum chemistry and materials physics.
berkonat/soapxx
berkonat/valgrind-macos
A valgrind mirror with latest macOS support