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fredhastedt/README.md
  • 👋 Hi, I’m @fredhastedt
  • 👀 I’m interested in machine learning applications in chemoinformatics.
  • 🌱 I’m always learning more about GenAI, Geometric Deep Learning and RL with applications in chemistry
  • 💞️ I’m looking to collaborate on machine learning for chemical synthesis planning
  • 📫 How to reach me:

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  1. OptiMaL-PSE-Lab/EvalRetro OptiMaL-PSE-Lab/EvalRetro Public

    A repository for evaluating single-step retrosynthesis algorithms

    Python 21 2

  2. OptiMaL-PSE-Lab/MolPrice OptiMaL-PSE-Lab/MolPrice Public

    Forked from fredhastedt/MolPrice

    Fast synthetic accessibility evaluation for fine chemicals, based on molecular price

    Python 13 3

  3. MORetro MORetro Public

    Multi-Objective Computer-Aided Synthesis Planner (MO-CASP)

    Python 2