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1. pwtools pwtools Public

   pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LAMMPS. It is almost, but not quite, entirely unlike ASE, with…

   Python 64 12

2. imagecluster imagecluster Public

   Cluster images based on image content using a pre-trained deep neural network, optional time distance scaling and hierarchical clustering.

   Python 185 52

3. psweep psweep Public

   Loop like a pro, make parameter studies fun.

   Python 15 2

4. hzdr/autodiff101 hzdr/autodiff101 Public

   An introduction to Automatic Differentiation with theory and code examples.

   TeX 5 1

5. gp_playground gp_playground Public

   Explore selected topics related to Gaussian processes

   Python 1

6. nmbx nmbx Public

   A box of tools that deal with numbers.

   Python