Repositories list

• IQC_Dashboard

  Public
  IQC Dashboard provides nice interactive visualization of the final results from IQC

  Python

  •

  MIT License

  •0•0•0•0•Updated Dec 5, 2025Dec 5, 2025

• IQC

  Public
  Interactive Quantum Chemistry

  Jupyter Notebook

  •

  Apache License 2.0

  •0•4•1•0•Updated Dec 1, 2025Dec 1, 2025

• ChemGraphIR

  Public
  Agentic framework for computational chemistry and materials science workflows

  Jupyter Notebook

  •

  Apache License 2.0

  •23•0•0•0•Updated Sep 12, 2025Sep 12, 2025

• PubChemAgent

  Public
  PubChemAgent provides a natural language interface for the PubChem database

  Python

  •

  MIT License

  •0•0•0•0•Updated Jul 11, 2025Jul 11, 2025

• Paper2Container

  Public
  Python

  •

  Apache License 2.0

  •0•0•0•0•Updated Feb 10, 2025Feb 10, 2025

• Paper2Code

  Public
  Paper2Code is an open-source software project that implements a CrewAI system capable of generating code based on computational science academic papers.

  Python

  •

  Apache License 2.0

  •0•6•0•0•Updated Feb 9, 2025Feb 9, 2025