cddd-environment.yml

name: cddd-env-prefer
channels:
  - rdkit
  - defaults
  - plotly
  - pytorch
dependencies:
  - pip<22
  - python==3.7.7
  - matplotlib
  - numpy
  - rdkit==2020.09.1.0
  - scikit-learn==0.24.1
  - seaborn
  - tqdm
  # For AML Hyperdrive
  - plotly
  - plotly-orca
  - psutil
  - openssl
  - h5py==2.10.0
  - tensorflow-gpu==1.13.1
  - pytorch
  - cpuonly
  - pip:
    - docopt
    - dpu-utils>=0.2.13
    - zmq
    - pytest
    - azureml-pipeline
    # For AML hyperdrive
    - azureml-widgets
    - azure-keyvault-secrets
    - ipywidgets
    - pandas
    - cairosvg
    - fcd_torch
    - pydantic
    - pyyaml
    - wrapt
    - dirhash
    - scandir
    - semver
    - py-repo-root==1.1.1
    - keras==2.1.2
    - fcd
    - json2html
    - ghostml
    - auto-sklearn==0.14.7
    - protobuf==3.20.1
    - opencensus-ext-azure
    - opencensus-ext-requests