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berkonat's Projects

ace.jl icon ace.jl

Approximation of Symmetric Functions with Polynomials and Spherical Harmonics

aenet icon aenet

Atomic interaction potentials based on artificial neural networks

aepy icon aepy

Python wrapper for aenet fortran routines.

aitbreg icon aitbreg

Julia registry for AITB and its dependent packages.

apsogeneam icon apsogeneam

EAM Potential Generator with Adaptive Particle Swarm Optimization (APSO) using MPI Parallelization

ase.jl icon ase.jl

Julia Bindings for Atomic Simulation Environment

dftbplus icon dftbplus

DFTB+ general package for performing fast atomistic simulations

jax-md icon jax-md

Differentiable, Hardware Accelerated, Molecular Dynamics

parmed icon parmed

Parameter/topology editor and molecular simulator

pymf icon pymf

Python Matrix Factorization Module

soaplite icon soaplite

Fast lightweight SOAP implementation for machine learning in quantum chemistry and materials physics.

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