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anmorgunov/README.md

structure precedes quantity.

anton morgunov // ischemist.com building the generative foundation for chemical intelligence.

currently: phd @ yale. previously: mit


science is infrastructure-constrained. i build the tools to solve the "unobtainium" problem—ensuring ai-designed molecules are chemically synthesizable.

  • retrocast – cryptographically verifiable eval harness for multistep retrosynthesis.
  • syntharena – interactive route visualization
  • directmultistep – transformer-based planning that breaks the search-space explosion.
  • calcflow – zero-dependency i/o interface for q-chem/orca.

read my thesis ->

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  1. ischemist/project-procrustes ischemist/project-procrustes Public

    RetroCast: A Unified Format for Multistep Retrosynthesis

    Python 23 2

  2. ischemist/syntharena ischemist/syntharena Public

    An Interactive Platform for Visualizing and Comparing Retrosynthetic Routes

    TypeScript 15 1

  3. batistagroup/DirectMultiStep batistagroup/DirectMultiStep Public

    DirectMultiStep: Direct Route Generation for Multistep Retrosynthesis

    Python 27 2

  4. ischemist/protocol ischemist/protocol Public

    3