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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

2. efficient-toolset efficient-toolset Public

   Some database operation and maintenance tools written in Python and shell.

   Python

3. PyChemKit PyChemKit Public

   Python

4. rxn-yield-prediction rxn-yield-prediction Public

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

   Python

5. 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

6. hpc-questions hpc-questions Public

   Some testing and algorithms for HPC.

   Go