environment.yml

name: ddg_test_env
channels:
  - salilab
  - conda-forge
  - https://levinthal:paradox@conda.graylab.jhu.edu
  - defaults
dependencies:
  - _libgcc_mutex=0.1
  - _openmp_mutex=4.5
  - bzip2=1.0.8
  - ca-certificates=2022.12.7
  - cudatoolkit=11.8.0
  - fftw=3.3.10
  - ld_impl_linux-64=2.39
  - libblas=3.9.0
  - libcblas=3.9.0
  - libffi=3.4.2
  - libgcc-ng=12.2.0
  - libgfortran-ng=12.2.0
  - libgfortran5=12.2.0
  - libgomp=12.2.0
  - liblapack=3.9.0
  - libnsl=2.0.0
  - libopenblas=0.3.21
  - libsqlite=3.40.0
  - libstdcxx-ng=12.2.0
  - libuuid=2.32.1
  - libzlib=1.2.13
  - ncurses=6.3
  - numpy=1.24.1
  - ocl-icd=2.3.1
  - ocl-icd-system=1.0.0
  - openmm=7.7.0
  - openssl=3.0.7
  - pdbfixer=1.8.1
  - pip=22.3.1
  - python=3.9.15
  - python_abi=3.9
  - readline=8.1.2
  - setuptools=65.6.3
  - tk=8.6.12
  - tzdata=2022g
  - xz=5.2.6
  - pip:
    - astunparse==1.6.3
    - bio==1.5.3
    - biopython==1.80
    - biothings-client==0.2.6
    - certifi==2022.12.7
    - charset-normalizer==2.1.1
    - contourpy==1.0.6
    - cycler==0.11.0
    - fastjsonschema==2.16.2
    - fonttools==4.38.0
    - idna==3.4
    - joblib==1.2.0
    - kiwisolver==1.4.4
    - logomaker==0.8
    - matplotlib==3.6.2
    - mdtraj==1.9.7
    - mygene==3.2.2
    - packaging==22.0
    - pandas==1.5.2
    - pillow==9.4.0
    - pyparsing==3.0.9
    - python-dateutil==2.8.2
    - pytz==2022.7
    - requests==2.28.1
    - scipy==1.10.0
    - seaborn==0.12.2
    - six==1.16.0
    - tqdm==4.64.1
    - urllib3==1.26.13
    - venn==0.1.3
    - wheel==0.38.4
prefix: /home/jsun/anaconda3/envs/ddg_test_env