Open Source

A selection of open-source projects I have authored or contributed to

• InferOpt.jl

  Combinatorial optimization layers for machine learning pipelines

  Contributor
• MoleculeHub

  A Julia cheminformatics toolkit

  Author
  • MoleculeFlow.jl

    Core cheminformatics library

  • MoleculeView.jl

    Interactive molecular data visualization and exploration

  • MoleculeDatasets.jl

    Collection of cheminformatics datasets

  • MoleculeScreen.jl

    Cheminformatics structural filters

  • MoleculeDock.jl

    Molecular docking

  • OpenBabel.jl

    Julia bindings to Open Babel