environment.yaml

name: rdkit
channels:
  - conda-forge
  - defaults
dependencies:
  - ca-certificates=2020.12.5=ha878542_0
  - cairo=1.16.0=h3fc0475_1005
  - certifi=2020.12.5=py38h578d9bd_0
  - cffi=1.14.3=py38h5bae8af_0
  - ipykernel=5.3.4=py38h23f93f0_0
  - ipython=7.18.1=py38h1cdfbd6_0
  - jupyter=1.0.0=py_2
  - jupyter_client=6.1.7=py_0
  - jupyter_console=6.2.0=py_0
  - jupyterlab=2.2.9=py_0
  - jupyterlab_pygments=0.1.2=pyh9f0ad1d_0
  - jupyterlab_server=1.2.0=py_0
  - matplotlib=3.3.2=0
  - matplotlib-base=3.3.2=py38h91b0d89_0
  - numpy=1.19.2=py38hbc27379_0
  - pandas=1.1.3=py38h950e882_0
  - pillow=7.2.0=py38h9776b28_1
  - pip=20.2.3=py_0
  - python=3.8.6=h852b56e_0_cpython
  - pyzmq=19.0.2=py38ha71036d_1
  - rdkit=2020.03.6=py38he572eef_0
  - scikit-learn=0.23.2=py38hee58b96_0
  - scipy=1.5.2=py38h8c5af15_0
  - seaborn=0.11.0=0
  - seaborn-base=0.11.0=py_0
  - setuptools=49.6.0=py38h924ce5b_2
  - terminado=0.9.1=py38h32f6830_0
  - tornado=6.0.4=py38h1e0a361_1
  - tqdm=4.50.2=pyh9f0ad1d_0
  - zeromq=4.3.3=he1b5a44_2
  - pip:
    - cairocffi==1.1.0
    - cairosvg==2.4.2
    - pandarallel==1.5.1
prefix: /home/pahl/anaconda3/envs/rdkit