Skip to content
View fjclark's full-sized avatar
25 followers · 62 following

Achievements

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

Achievements

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

Block or report fjclark

Block user

Prevent this user from interacting with your repositories and sending you notifications. Learn more about blocking users.

You must be logged in to block users.

Please don't include any personal information such as legal names or email addresses. Maximum 100 characters, markdown supported. This note will be visible to only you.
Report abuse

Contact GitHub support about this user’s behavior. Learn more about reporting abuse.

Report abuse
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

Pinned Loading

  1. red red Public

    Robust Equilibration Detection

    Python 9 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