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26 followers · 21 following

Achievements

Achievement: StarstruckAchievement: YOLOAchievement: QuickdrawAchievement: Pull Sharkx2Achievement: Pair ExtraordinaireAchievement: Arctic Code Vault Contributor
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Achievements

Achievement: StarstruckAchievement: YOLOAchievement: QuickdrawAchievement: Pull Sharkx2Achievement: Pair ExtraordinaireAchievement: Arctic Code Vault Contributor
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Highlights

  • Pro

Organizations

@Cascella-Group-UiO @Sampa-USP
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Pinned

  1. clusttraj clusttraj Public

    Python script that receives a molecular dynamics or Monte Carlo trajectory and performs agglomerative clustering to classify similar structures.

    Python 18 3

  2. dicetools dicetools Public

    Repository of selected Python 3 scripts used to aid data analysis and input generation of Monte Carlo and Configurational Bias Monte Carlo simulations performed with Dice.

    Python 8 5

  3. plumed/plumed2 plumed/plumed2 Public

    Development version of plumed 2

    C++ 315 264

  4. Cascella-Group-UiO/HyMD Cascella-Group-UiO/HyMD Public

    Massively parallel hybrid particle-field molecular dynamics in Python.

    Python 23 7

  5. Sampa-USP/pdb2lmp Sampa-USP/pdb2lmp Public

    Python 3 script to create a LAMMPS topology from a PDB file.

    Python 4 1

  6. Sampa-USP/nanotube-tools Sampa-USP/nanotube-tools Public

    Tools to manipulate, create and work with nanotube simulations

    Python 1