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Literature review related to Amazon molecule program

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Amazon molecule literature

Literature review related to the Amazon molecule program

Acknowledgments

TCDF

Alex2018

eSRU

gcastle

GVAR

Usage

  1. Find the following release version of PyTorch torch-2.1.0+cu118-cp311-cp311-linux_x86_64.whl
  2. Use pip install torch-2.1.0+cu118-cp311-cp311-linux_x86_64.whl to install PyTorch.
  3. Run the following command.
    pip install -r requirements.txt
    python file_exchange.py
    python method_gcastle/install.py