Skip to content
View a-r-j's full-sized avatar


  • Pro


Block or Report

Block or report a-r-j

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

Hi there 👋

  • 🔭 I’m a PhD student at the University of Cambridge. I work on deep learning applied to structural biology and drug discovery.

  • I'm currently doing things with proteins at Genentech / Roche / Prescient Design

  • Previously, I was a visiting researcher at EPFL and MILA, AI Resident at X - The Moonshot Factory (formerly Google X) and an ML Consultant at Relation Therapeutics.

  • 🌱 I’m currently developing Graphein, a data processing library for geometric deep learning in biology.

    • Graphein supports construction and featurisation of:
      • Protein structure graphs
      • Protein meshes
      • Small molecule graphs
      • RNA structure graphs
      • Protein-protein interaction graphs
      • Gene regulatory interaction graphs
  • 📫 How to reach me:


  1. graphein graphein Public

    Protein Graph Library

    Jupyter Notebook 975 121

  2. ProteinWorkshop ProteinWorkshop Public

    Benchmarking framework for protein representation learning. Includes a large number of pre-training and downstream task datasets, models and training/task utilities. (ICLR 2024)

    Python 140 13

  3. molstar/VSCoding-Sequence molstar/VSCoding-Sequence Public

    VSCode Extension for interactively visualising protein structure data in the editor

    TypeScript 92 8

  4. BioPandas/biopandas BioPandas/biopandas Public

    Working with molecular structures in pandas DataFrames

    Python 679 115

  5. CPDB CPDB Public

    Cython implementation of PDB -> DataFrame parsing

    Cython 16

  6. Ryan-Rhys/The-Photoswitch-Dataset Ryan-Rhys/The-Photoswitch-Dataset Public

    Repository containing a benchmark dataset for machine learning property prediction of photoswitch molecules:

    Python 80 12