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1. CppND-Route-Planning-Project CppND-Route-Planning-Project Public

   C++

2. mol2vec_ECFP mol2vec_ECFP Public

   modified ECFP algorithm added to samoturk/mol2vec

   Python 1 1

3. molecule_rxn molecule_rxn Public

   Python 1 2

4. rnn_SMILES rnn_SMILES Public

   lstm for SMILES notation

   Python 2

5. ulissigroup/amptorch ulissigroup/amptorch Public

   AMPtorch: Atomistic Machine Learning Package (AMP) - PyTorch

   C++ 60 35

6. Schrodinger Schrodinger Public

   Python