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1. JuliaMolSim/DFTK.jl JuliaMolSim/DFTK.jl Public

   Density-functional toolkit

   Julia 519 104

2. ad-kernels ad-kernels Public

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

   Jupyter Notebook 13 1

3. ad-dfpt ad-dfpt Public

   Code for the paper "Algorithmic differentiation for plane-wave DFT"

   Jupyter Notebook 9

4. sdf_jax sdf_jax Public

   Utilities for neural signed distance fields in JAX.

   Jupyter Notebook 7

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