• Stars
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    57
  • Rank 522,947 (Top 11 %)
  • Language
    Python
  • Created almost 2 years ago
  • Updated about 1 year ago

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Repository Details

Equivariant machine learning interatomic potentials in JAX.

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ObjectPools.jl

thread-safe and flexible temporary arrays and object cache for semi-manual memory management
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ACEhamiltonians.jl

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Polynomials4ML.jl

Polynomials for ML: fast evaluation, batching, differentiation
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EquivariantModels.jl

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ACEHAL

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ACEfit.jl

Generic Codes for Fitting ACE models
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ACEhamiltoniansExamples

Example code for the ACEhamiltonians code-base.
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IPFitting.jl

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ACEmd.jl

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ACEatoms.jl

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DecoratedParticles.jl

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GeomOpt.jl

Geometry optimization interface
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HyperActiveLearning.jl

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ACEcalculator.jl

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ACEdocs_old

Documentaton for ACEsuit
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WithAlloc.jl

A simple Bumper convenience extension
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ACEluxpots.jl

ACE potentials via EquivariantModels and Lux
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RepLieGroups.jl

Representations of Lie Groups
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ace.cpp

Experimental C++ routines for the ACE basis
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