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40 followers · 24 following

Achievements

Achievement: Pair Extraordinairex3Achievement: YOLOAchievement: StarstruckAchievement: Pull Sharkx3Achievement: QuickdrawAchievement: Arctic Code Vault Contributor

Achievements

Achievement: Pair Extraordinairex3Achievement: YOLOAchievement: StarstruckAchievement: Pull Sharkx3Achievement: QuickdrawAchievement: Arctic Code Vault Contributor

Organizations

@conda-forge @aiidateam @aiidalab @JuliaMolSim @pspgen @cnts4sci

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Pinned Loading

  1. PseudopotentialGenerator.jl PseudopotentialGenerator.jl Public

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

    Julia

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

    Julia bindings to the libxc library for exchange-correlation functionals

    Julia 22 6

  3. tatzelwurm tatzelwurm Public

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

    Rust 2

  4. rsdos rsdos Public

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

    Rust

  5. pniggli pniggli Public

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

    Python 5

  6. aiidalab/aiidalab-qe aiidalab/aiidalab-qe Public

    AiiDAlab App for Quantum ESPRESSO

    Python 13 15