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  1. aiqm/torchani aiqm/torchani Public

    Accurate Neural Network Potential on PyTorch

    Python 471 129

  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