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a-r-j/README.md

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:

Pinned Loading

  1. graphein graphein Public

    Protein Graph Library

    Jupyter Notebook 1k 131

  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 196 16

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

    VSCode Extension for interactively visualising protein structure data in the editor

    TypeScript 100 9

  4. BioPandas/biopandas BioPandas/biopandas Public

    Working with molecular structures in pandas DataFrames

    Python 711 121

  5. CPDB CPDB Public

    Cython implementation of PDB -> DataFrame parsing

    Cython 21

  6. leojklarner/gauche leojklarner/gauche Public

    A Library for Gaussian Processes in Chemistry

    Jupyter Notebook 210 22