environment.yml

name: off-moo
channels:
  - conda-forge
  - defaults
dependencies:
  - _libgcc_mutex=0.1=conda_forge
  - _openmp_mutex=4.5=2_kmp_llvm
  - blas=2.120=openblas
  - blas-devel=3.9.0=20_linux64_openblas
  - boost=1.74.0=py38h2b96118_5
  - boost-cpp=1.74.0=h75c5d50_8
  - bottleneck=1.3.7=py38h7e4f40d_0
  - brotli-python=1.0.9=py38hfa26641_7
  - bzip2=1.0.8=hd590300_5
  - ca-certificates=2024.2.2=hbcca054_0
  - cairo=1.16.0=hb05425b_5
  - certifi=2024.2.2=pyhd8ed1ab_0
  - charset-normalizer=3.3.2=pyhd8ed1ab_0
  - colorama=0.4.6=pyhd8ed1ab_0
  - cudatoolkit=10.2.89=h713d32c_10
  - cycler=0.12.1=pyhd8ed1ab_0
  - expat=2.5.0=hcb278e6_1
  - fontconfig=2.14.1=h52c9d5c_1
  - freetype=2.10.4=hca18f0e_2
  - fuzzywuzzy=0.18.0=pyhd8ed1ab_0
  - giflib=5.2.1=h0b41bf4_3
  - glib=2.69.1=he621ea3_2
  - greenlet=3.0.1=py38h6a678d5_0
  - icu=70.1=h27087fc_0
  - idna=3.6=pyhd8ed1ab_0
  - joblib=1.3.2=pyhd8ed1ab_0
  - jpeg=9e=h0b41bf4_3
  - kiwisolver=1.4.4=py38h6a678d5_0
  - lcms2=2.12=h3be6417_0
  - ld_impl_linux-64=2.38=h1181459_1
  - lerc=3.0=h295c915_0
  - libblas=3.9.0=20_linux64_openblas
  - libcblas=3.9.0=20_linux64_openblas
  - libdeflate=1.17=h5eee18b_1
  - libexpat=2.5.0=hcb278e6_1
  - libffi=3.4.4=h6a678d5_0
  - libgcc-ng=13.2.0=h807b86a_3
  - libgfortran-ng=13.2.0=h69a702a_3
  - libgfortran5=13.2.0=ha4646dd_3
  - libiconv=1.17=hd590300_2
  - liblapack=3.9.0=20_linux64_openblas
  - liblapacke=3.9.0=20_linux64_openblas
  - libopenblas=0.3.25=pthreads_h413a1c8_0
  - libpng=1.6.39=h753d276_0
  - libstdcxx-ng=11.2.0=h1234567_1
  - libtiff=4.5.1=h6a678d5_0
  - libuuid=1.41.5=h5eee18b_0
  - libwebp=1.3.2=h11a3e52_0
  - libwebp-base=1.3.2=hd590300_0
  - libxcb=1.16=hd590300_0
  - libxml2=2.9.14=h22db469_4
  - libzlib=1.2.13=hd590300_5
  - llvm-openmp=17.0.6=h4dfa4b3_0
  - lz4-c=1.9.4=h6a678d5_0
  - matplotlib-base=3.4.3=py38hf4fb855_1
  - ncurses=6.4=h6a678d5_0
  - networkx=3.1=pyhd8ed1ab_0
  - numexpr=2.8.4=py38hd2a5715_1
  - numpy=1.22.3=py38h99721a1_2
  - ocl-icd=2.3.2=hd590300_1
  - ocl-icd-system=1.0.0=1
  - openbabel=3.1.1=py38hd2c4bc0_3
  - openblas=0.3.25=pthreads_h7a3da1a_0
  - openmm=8.0.0=py38h9522d40_1
  - openssl=3.2.1=hd590300_1
  - pandas=1.5.3=py38h417a72b_0
  - pcre=8.45=h9c3ff4c_0
  - pdbfixer=1.9=pyh1a96a4e_0
  - pillow=9.4.0=py38h6a678d5_1
  - pixman=0.40.0=h7f8727e_1
  - pthread-stubs=0.4=h36c2ea0_1001
  - pycairo=1.23.0=py38hd1222b9_0
  - pyparsing=3.1.1=pyhd8ed1ab_0
  - pysocks=1.7.1=pyha2e5f31_6
  - pytdc=0.3.8=pyhd8ed1ab_0
  - python=3.8.18=h955ad1f_0
  - python-dateutil=2.8.2=pyhd8ed1ab_0
  - python-levenshtein=0.12.2=py38h0a891b7_2
  - python_abi=3.8=2_cp38
  - pytz=2023.3.post1=pyhd8ed1ab_0
  - readline=8.2=h5eee18b_0
  - reportlab=3.6.13=py38h5eee18b_0
  - requests=2.31.0=pyhd8ed1ab_0
  - seaborn=0.12.2=py38h06a4308_0
  - setuptools=68.2.2=py38h06a4308_0
  - six=1.16.0=pyh6c4a22f_0
  - sqlalchemy=2.0.25=py38h01eb140_0
  - sqlite=3.41.2=h5eee18b_0
  - tk=8.6.12=h1ccaba5_0
  - tornado=6.3.3=py38h01eb140_1
  - typing-extensions=4.9.0=hd8ed1ab_0
  - typing_extensions=4.9.0=pyha770c72_0
  - wheel=0.41.2=py38h06a4308_0
  - xorg-libxau=1.0.11=hd590300_0
  - xorg-libxdmcp=1.1.3=h7f98852_0
  - xz=5.4.5=h5eee18b_0
  - zlib=1.2.13=hd590300_5
  - zstd=1.5.5=hc292b87_0