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

Achievements

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

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PicoCentauri/README.md

Hi, I'm Philip 👋

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I'm a researcher in soft matter physics working on electrostatics ✨ in aqueous systems 🌊 using machine learning and molecular simulations 💻

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  1. gmx_power_usage gmx_power_usage Public

    Estimate power usage of your GROMACS MD simulation

    Python 1

  2. MDAnalysis/mdanalysis MDAnalysis/mdanalysis Public

    MDAnalysis is a Python library to analyze molecular dynamics simulations.

    Python 1.3k 652

  3. metatensor/metatensor metatensor/metatensor Public

    Self-describing sparse tensor data format for atomistic machine learning and beyond

    Python 52 19

  4. Luthaf/rascaline Luthaf/rascaline Public

    Computing representations for atomistic machine learning

    Rust 44 13