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1. aiqm/torchani aiqm/torchani Public

   Accurate Neural Network Potential on PyTorch

   Python 466 129

2. QCEngine QCEngine Public

   Forked from MolSSI/QCEngine

   Quantum chemistry program executor and IO standardizer (QCSchema).

   Python

3. genre_classifier genre_classifier Public

   Progressive rock vs non-prog music genre classification with 1D-CNN, LSTM, and CRNN(GRU)

   Jupyter Notebook

4. machine-learning machine-learning Public

   Machine learning course coding exercises

   Jupyter Notebook

5. MPI4py MPI4py Public

   python mpi4py

   Python 2 2

6. PEG_CG PEG_CG Public

   PEG/PEO Coarse-grained model optimized for protein-polymer interactions

   Tcl 1