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Models:
Amanda Davis
Amanda-D/
paccmann_predictor
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name: paccmann_predictor

channels:

 - https://conda.anaconda.org/rdkit

dependencies:

  - rdkit=2019.03.1

  - python>=3.6,<3.8

  - pip>=19.1

  - pip:

    - pytoda==1.0.0

    - numpy>=1.14.3

    - scipy>=1.3.1

    - torch>=1.7.1

    - tqdm

    - pandas