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Achievement: StarstruckAchievement: QuickdrawAchievement: Pair ExtraordinaireAchievement: Pull Sharkx2Achievement: YOLO

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fjclark/README.md

About

I'm a PhD student @michellab developing methods for alchemical free energy calculations (especially absolute binding free energy calculations).

🧪 Projects

Some of my scientific projects:

💻 Projects

Some of my (mainly) python code projects and contributions:

Contributed To

Personal Projects

  • A3FE: A package for running automated, adaptive, absolute binding free energy calculations
  • RED: A package for robust equilibration detection for molecular simulation
  • maize-biosimspace: BioSimSpace nodes for the maize workflow manager

Personal Miniprojects

  • SQUID: An interactive display for squeue
  • K2DG: Simple CLI tool for converting binding affinities and dissociation constants
  • K2DG Streamlit App: Streamlit app for K2DG

Github Stats

Finlay's GitHub stats

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  1. red red Public

    Robust Equilibration Detection

    Python 8 1

  2. squid squid Public

    SQUeue Interactive Display

    Python

  3. a3fe a3fe Public

    Automated Adaptive Absolute alchemical Free Energy calculator

    Python 2

  4. k2dg k2dg Public

    A command line tool for converting between dissociation constants and free energies

    Python 1

  5. maize-biosimspace maize-biosimspace Public

    BioSimSpace nodes for Maize

    Python 3