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1. PseudopotentialGenerator.jl PseudopotentialGenerator.jl Public

   Solve atomic Schrödinger equation and pseudizing to generate pseudo-potential for plane-wave DFT.

   Julia 2

2. JuliaMolSim/Libxc.jl JuliaMolSim/Libxc.jl Public

   Julia bindings to the libxc library for exchange-correlation functionals

   Julia 22 7

3. tatzelwurm tatzelwurm Public

   Lightweight remote task broker with queue system and persistent message storage.

   Rust 4

4. rsdos rsdos Public

   KV store for files in local file system. Support optimize the storage with different types of compression algorithms, and with python API available.

   Rust 1

5. pniggli pniggli Public

   Niggli cell transformations in pure python, support both 2D and 3D Niggli cell.

   Python 5

6. aiidateam/plumpy aiidateam/plumpy Public

   A python workflows library that supports writing Processes with a well defined set of inputs and outputs that can be strung together.

   Python 9 18