environment.yaml

name: AAScore
channels:
  - https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/rdkit
  - https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/pytorch
  - openbabel
  - conda-forge
  - https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/conda-forge
  - https://mirrors.tuna.tsinghua.edu.cn/anaconda/pkgs/main
  - defaults
dependencies:
  - biopandas=0.2.5=pyh9f0ad1d_0
  - cython=0.29.21=py36he6710b0_0
  - numpy=1.18.1=py36h4f9e942_0
  - numpy-base=1.18.1=py36hde5b4d6_1
  - openbabel=2.4.1=py36_6
  - openssl=1.1.1l=h7f8727e_0
  - packaging=21.0=pyhd3eb1b0_0
  - pandas=0.25.3=py36he6710b0_0
  - pandoc=2.12=h06a4308_0
  - pandocfilters=1.4.3=py36h06a4308_1
  - pip=21.0.1=py36h06a4308_0
  - py3dmol=0.8.0=py_0
  - python=3.6.9=h265db76_0
  - python-dateutil=2.8.2=pyhd3eb1b0_0
  - python-leveldb=0.201=py36he6710b0_0
  - python_abi=3.6=1_cp36m
  - rdkit=2020.03.2.0=py36hc20afe1_1
  - scipy=1.4.1=py36h0b6359f_0
  - six=1.16.0=pyhd3eb1b0_0
prefix: /localhome/anaconda3/envs/AAScore