environment.yml

name: cgexplore
channels:
  - conda-forge
  - defaults
dependencies:
  - _libgcc_mutex=0.1=conda_forge
  - _openmp_mutex=4.5=2_gnu
  - ca-certificates=2022.9.14=ha878542_0
  - ld_impl_linux-64=2.36.1=hea4e1c9_2
  - libffi=3.3=h58526e2_2
  - libgcc-ng=12.1.0=h8d9b700_16
  - libgomp=12.1.0=h8d9b700_16
  - libsqlite=3.39.3=h753d276_0
  - libstdcxx-ng=12.1.0=ha89aaad_16
  - libzlib=1.2.12=h166bdaf_3
  - ncurses=6.3=h27087fc_1
  - openssl=1.1.1q=h166bdaf_0
  - pip=22.2.2=pyhd8ed1ab_0
  - python=3.9.0=hffdb5ce_5_cpython
  - readline=8.1.2=h0f457ee_0
  - setuptools=65.3.0=pyhd8ed1ab_1
  - sqlite=3.39.3=h4ff8645_0
  - tk=8.6.12=h27826a3_0
  - tzdata=2022c=h191b570_0
  - wheel=0.37.1=pyhd8ed1ab_0
  - xz=5.2.6=h166bdaf_0
  - zlib=1.2.12=h166bdaf_3
  - pip:
    - ase==3.22.1
    - black==22.8.0
    - click==8.1.3
    - contourpy==1.0.5
    - cycler==0.11.0
    - dill==0.3.5.1
    - dnspython==2.2.1
    - fonttools==4.37.3
    - kiwisolver==1.4.4
    - matplotlib==3.6.0
    - mchammer==1.0.4
    - multiprocess==0.70.13
    - mypy-extensions==0.4.3
    - networkx==2.8.6
    - packaging==21.3
    - pandas==1.5.0
    - pathos==0.2.9
    - pathspec==0.10.1
    - pillow==9.2.0
    - platformdirs==2.5.2
    - pox==0.3.1
    - ppft==1.7.6.5
    - pymongo==4.2.0
    - pyparsing==3.0.9
    - python-dateutil==2.8.2
    - pytz==2022.2.1
    - rdkit-pypi==2022.3.5
    - scipy==1.9.1
    - seaborn==0.12.0
    - six==1.16.0
    - spindry==0.0.91
    - stk==2022.6.17.0
    - stko==0.0.40
    - tomli==2.0.1
    - typing-extensions==4.3.0
    - vabene==0.0.5
prefix: /home/atarzia/miniconda3/envs/cgexplore