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1. ComPlat/chemotion_ELN ComPlat/chemotion_ELN Public

   Electronic Lab Notebook

   JavaScript 126 53

2. ComPlat/chem-spectra-app ComPlat/chem-spectra-app Public

   A backend web service provides NMR/IR/MS processing for jcamp/RAW/mzML files.

   Python 11 9

3. ComPlat/react-spectra-editor ComPlat/react-spectra-editor Public

   An editor to View and Edit Chemical Spectra data (NMR, IR and MS).

   JavaScript 10 5

4. chem-dl-rxn chem-dl-rxn Public

   reaction and retrosynthesis predictions

   Jupyter Notebook 2 1

5. chem-dl-ir chem-dl-ir Public

   Function group predictions from an IR spectrum

   Jupyter Notebook

6. chem-dl-iupac chem-dl-iupac Public

   convert SMILES to IUPAC name using a deep learning model

   Python 1