environment.yml

name: r2g
channels:
  - pytorch
  - conda-forge
  - anaconda
  - defaults
dependencies:
  - python=3.7
  - cython
  - conda>=4.7
  - ipython
  - ipdb
  - numpy
  - scipy
  - pandas
  - pip
  - pytorch=1.6.0
  - torchvision
  - cudatoolkit=10.2
  - pyyaml
  - scikit-learn
  - scikit-optimize
  - tqdm
  - matplotlib
  - psutil
  - hyperopt
  - pytest
  - pytest-cov
  - pymysql
  - setproctitle
  - tabulate
  - mlflow
  - pip:
      - tensorflow
      - tensorboardX
      - ray[all]
      - gputil
      - ax-platform
      - pyswip
      - https://pytorch-geometric.com/whl/torch-1.6.0/torch_scatter-latest%2Bcu102-cp37-cp37m-linux_x86_64.whl
      - https://pytorch-geometric.com/whl/torch-1.6.0/torch_sparse-latest%2Bcu102-cp37-cp37m-linux_x86_64.whl
      - https://pytorch-geometric.com/whl/torch-1.6.0/torch_cluster-latest%2Bcu102-cp37-cp37m-linux_x86_64.whl
      - https://pytorch-geometric.com/whl/torch-1.6.0/torch_spline_conv-latest%2Bcu102-cp37-cp37m-linux_x86_64.whl
      # - torch-scatter==latest+cu102 -f https://pytorch-geometric.com/whl/torch-1.6.0.html
      # - torch-sparse==latest+cu102 -f https://pytorch-geometric.com/whl/torch-1.6.0.html
      # - torch-cluster==latest+cu102 -f https://pytorch-geometric.com/whl/torch-1.6.0.html
      # - torch-spline-conv==latest+cu102 -f https://pytorch-geometric.com/whl/torch-1.6.0.html
      - torch-geometric