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1. IQC IQC Public

   Interactive Quantum Chemistry

   Python 6

2. IQC-Dashboard IQC-Dashboard Public

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

   Jupyter Notebook 1

3. PubChemAgent PubChemAgent Public

   PubChemAgent provides a natural language interface for the PubChem database

   Python 1

4. chemgraph-leaderboard chemgraph-leaderboard Public

   Python 3

5. Paper2Code 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 6

6. Paper2Container Paper2Container Public

   Python