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1. ad-kernels ad-kernels Public

   Code for the paper "Algorithmic Differentiation for Automatized Modelling of Machine Learned Force Fields"

   Jupyter Notebook 12 1

2. DifferentiableDFTK DifferentiableDFTK Public

   Automatic differentiation for density functional theory in Julia.

   Julia 6

3. sdf_jax sdf_jax Public

   Utilities for neural signed distance fields in JAX.

   Jupyter Notebook 4

4. JuliaMolSim/DFTK.jl JuliaMolSim/DFTK.jl Public

   Density-functional toolkit

   Julia 445 89

5. visualizing jaxprs visualizing jaxprs

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   import jax

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   from jax import core

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   from graphviz import Digraph

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   import itertools

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6. Kernel regression in dex-lang Kernel regression in dex-lang

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   import plot

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   -- Conjugate gradients solver

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   def solve (mat:m=>m=>Float) (b:m=>Float) : m=>Float =

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     x0 = for i:m. 0.0