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Achievement: Pair ExtraordinaireAchievement: QuickdrawAchievement: Pull Shark

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Achievement: Pair ExtraordinaireAchievement: QuickdrawAchievement: Pull Shark

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cx-luo/README.md

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AIDD Researcher in Small-Molecule Drug Discovery

Fitz Luo · AI for Drug Discovery · Scientific Discovery Workflows & Software

Website LinkedIn ORCID Email

What I Build

  • AI-powered scientific discovery workflows: building eLabX, an open-source electronic laboratory notebook for researchers, chemists, and engineers.
  • Cheminformatics infrastructure: maintaining go-indigo, go-chem, and PyChemKit for molecular structure processing and chemistry data workflows.
  • Scientific AI experiments: exploring LLM-assisted lab notes, reaction yield prediction, retrosynthesis workflows, and practical tools for data-heavy research.

Featured Open Source

Project Focus Stack
eLabX AI-driven electronic laboratory notebook for modern research labs Vue, Go, Gin, GORM, AI
go-indigo High-performance molecule and reaction processing via Indigo CGO bindings Go, CGO, Indigo
go-chem Go library for molecular structure processing, file formats, and properties Go, Chemistry
PyChemKit Python toolkit for chemistry and molecular data experiments Python, Chemistry
rxn-yield-prediction Deep learning model for chemical reaction yield prediction Python, ML, Chemistry

Tech Ecosystem

Tech stack icons

AIDD Small molecules Cheminformatics Scientific discovery workflows

GitHub Snapshot

GitHub contribution snake animation

Visitor badge CSDN Python Go C++ C Vue.js Node.js

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  1. eLabX eLabX Public

    An AI driven electronic laboratory notebook (ELN), It is designed to help researchers, chemists, and engineers record and organize experimental data efficiently.

    Vue 1 1

  2. PyChemKit PyChemKit Public

    Python

  3. rxn-yield-prediction rxn-yield-prediction Public

    A Deep Learning model for predicting chemical reaction yields, enabling faster reaction optimization and synthesis planning.

    Python

  4. go-indigo go-indigo Public

    A Go cheminformatics toolkit based on the Indigo library, providing high-performance molecule and reaction processing via CGO bindings.

    Go 1

  5. go-chem go-chem Public

    Go