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38 followers · 23 following
  • Software for Chemistry & Materials
  • Amsterdam

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Achievement: Pair ExtraordinaireAchievement: Arctic Code Vault ContributorAchievement: Pull Sharkx3

Achievements

Achievement: Pair ExtraordinaireAchievement: Arctic Code Vault ContributorAchievement: Pull Sharkx3

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@choderalab

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  1. choderalab/protons Public

    OpenMM testbed for constant-pH methodologies.

    Python 22 13

  2. choderalab/bayesian-itc Public

    Python tools for the analysis and modeling of isothermal titration calorimetry (ITC) experiments.

    TeX 5 10

  3. choderalab/titrato Public

    Titrato (name pending) is a set of tools for analyzing pKa data.

    Python 1

  4. choderalab/saltswap Public

    Package to fluctuate the number of counterions in an OpenMM simulation

    Jupyter Notebook 6 3