Pinned

1. chem-rdf-fixer chem-rdf-fixer Public

   Script to fix erroneous chemical reaction RDF files

   Python 2

2. Yield_curation_USPTO Yield_curation_USPTO Public

   short scripts to curate the somewhat messy text based yield columns in the available curated UPTSO rsmi/csv files.

   Python 1

3. ChemDash ChemDash Public

   Proof of Concept for web based chemistry GUI to work with small molecules

   Python

4. bengal-ai-classifier bengal-ai-classifier Public

   A simple AI classifier based on fastai, deployable as web app when used via Voila / Mybinder.org

   Jupyter Notebook

5. Awamegit/SpotRM_API_examples Awamegit/SpotRM_API_examples Public

   Some examples on how to access SpotRM Web via the API (valid account required).

   Jupyter Notebook 1

6. RxnTransformDescriptors RxnTransformDescriptors Public

   Python code for reaction transform descriptors (TDs)

   Python 2