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68 followers · 95 following

Achievements

Achievement: Pair Extraordinairex2Achievement: QuickdrawAchievement: YOLOAchievement: Pull Sharkx3Achievement: StarstruckAchievement: Arctic Code Vault Contributor

Achievements

Achievement: Pair Extraordinairex2Achievement: QuickdrawAchievement: YOLOAchievement: Pull Sharkx3Achievement: StarstruckAchievement: Arctic Code Vault Contributor

Organizations

@openjournals @pyiron @eisenforschung @ICAMS @pyscal @pyiron-workshop

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srmnitc/README.md

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  1. pyscal/pyscal pyscal/pyscal Public

    Python library written in C++ for calculation of local atomic structural environment

    C++ 59 16

  2. ICAMS/calphy ICAMS/calphy Public

    A Python library and command line interface for automated free energy calculations

    Python 73 21

  3. pyiron/pylammpsmpi pyiron/pylammpsmpi Public

    Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook

    Python 31 4

  4. ICAMS/lammps-user-pace ICAMS/lammps-user-pace Public

    C++ 28 12

  5. pyscal/pyscal3 pyscal/pyscal3 Public

    More efficient and faster version of pyscal

    Jupyter Notebook 20 1

  6. pyscal/atomRDF pyscal/atomRDF Public

    atomRDF is a python tool for ontology-based creation, manipulation, and quering of structures. atomRDF uses the Computational Material Sample Ontology (CMSO).

    Jupyter Notebook 10 2