[992277]: / examples / affinity / conda.yml

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name: paccmann_predictor
channels:
- https://conda.anaconda.org/rdkit
dependencies:
- rdkit=2019.03.1
- python>=3.7,<3.8
- pip>=19.1
- pip:
- pytoda @ git+https://github.com/PaccMann/paccmann_datasets@0.2.4
- numpy>=1.14.3
- scipy>=1.3.1
- torch>=1.3.0