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amorehead (Alex Morehead) · GitHub

Overview Repositories 116 Projects Packages 1 Stars 901
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Researching and developing...
🧠
Researching and developing...
392 followers · 363 following

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amorehead/README.md

Hi! I'm Alex

  • 🔭 I’m currently working on applications of geometric deep learning and generative modeling for structural biology and computational biology more generally.
  • 🌱 I’m currently learning about generative flow matching with equivariant neural networks.
  • 💬 Ask me about machine learning, artificial intelligence, computational biology, music, cardio and strength training, etc.
  • 📫 How to reach me: LinkedIn, Twitter, Gmail, etc.
  • ⚡ Fun fact: I can understand (i.e., read) more Chinese and Japanese than I can speak.

🌐 Website · 📰 Google Scholar · 👔 LinkedIn · 🐦 Twitter

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  1. BioinfoMachineLearning/GCPNet BioinfoMachineLearning/GCPNet Public

    A geometry-complete SE(3)-equivariant perceptron network (GCPNet) for 3D graphs. (Bioinformatics)

    Python 55 5

  2. BioinfoMachineLearning/bio-diffusion BioinfoMachineLearning/bio-diffusion Public

    A geometry-complete diffusion generative model (GCDM) for 3D molecule generation and optimization. (Nature CommsChem)

    Python 243 36

  3. BioinfoMachineLearning/DeepInteract BioinfoMachineLearning/DeepInteract Public

    A geometric deep learning framework (Geometric Transformers) for predicting protein interface contacts. (ICLR 2022)

    Python 67 12

  4. a-r-j/ProteinWorkshop a-r-j/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 279 22

  5. BioinfoMachineLearning/PoseBench BioinfoMachineLearning/PoseBench Public

    Comprehensive benchmarking of protein-ligand structure prediction methods. (Nature Machine Intelligence)

    Jupyter Notebook 246 17

  6. BioinfoMachineLearning/FlowDock BioinfoMachineLearning/FlowDock Public

    A geometric flow matching model for generative protein-ligand docking and affinity prediction. (ISMB 2025)

    Python 145 30

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