environment.yml

name: deepes
channels:
  - pytorch
  - nvidia
  - defaults
dependencies:
  - _libgcc_mutex=0.1=main
  - _openmp_mutex=5.1=1_gnu
  - blas=1.0=mkl
  - bottleneck=1.3.7=py39ha9d4c09_0
  - ca-certificates=2024.3.11=h06a4308_0
  - cuda-cudart=11.7.99=0
  - cuda-cupti=11.7.101=0
  - cuda-libraries=11.7.1=0
  - cuda-nvrtc=11.7.99=0
  - cuda-nvtx=11.7.91=0
  - cuda-runtime=11.7.1=0
  - intel-openmp=2023.1.0=hdb19cb5_46306
  - ld_impl_linux-64=2.38=h1181459_1
  - libcublas=11.10.3.66=0
  - libcufft=10.7.2.124=h4fbf590_0
  - libcufile=1.9.0.20=0
  - libcurand=10.3.5.119=0
  - libcusolver=11.4.0.1=0
  - libcusparse=11.7.4.91=0
  - libffi=3.4.4=h6a678d5_0
  - libgcc-ng=11.2.0=h1234567_1
  - libgomp=11.2.0=h1234567_1
  - libnpp=11.7.4.75=0
  - libnvjpeg=11.8.0.2=0
  - libstdcxx-ng=11.2.0=h1234567_1
  - mkl=2023.1.0=h213fc3f_46344
  - mkl-service=2.4.0=py39h5eee18b_1
  - mkl_fft=1.3.8=py39h5eee18b_0
  - mkl_random=1.2.4=py39hdb19cb5_0
  - ncurses=6.4=h6a678d5_0
  - numexpr=2.8.7=py39h85018f9_0
  - numpy=1.26.4=py39h5f9d8c6_0
  - numpy-base=1.26.4=py39hb5e798b_0
  - openssl=3.0.13=h7f8727e_0
  - pandas=2.2.1=py39h6a678d5_0
  - pip=23.3.1=py39h06a4308_0
  - python=3.9.19=h955ad1f_0
  - python-dateutil=2.8.2=pyhd3eb1b0_0
  - python-tzdata=2023.3=pyhd3eb1b0_0
  - pytorch=1.13.0=py3.9_cuda11.7_cudnn8.5.0_0
  - pytorch-cuda=11.7=h778d358_5
  - pytorch-mutex=1.0=cuda
  - pytz=2023.3.post1=py39h06a4308_0
  - readline=8.2=h5eee18b_0
  - setuptools=68.2.2=py39h06a4308_0
  - six=1.16.0=pyhd3eb1b0_1
  - sqlite=3.41.2=h5eee18b_0
  - tbb=2021.8.0=hdb19cb5_0
  - tk=8.6.12=h1ccaba5_0
  - typing_extensions=4.9.0=py39h06a4308_1
  - tzdata=2024a=h04d1e81_0
  - wheel=0.41.2=py39h06a4308_0
  - xz=5.4.6=h5eee18b_0
  - zlib=1.2.13=h5eee18b_0
  - pip:
    - biopython==1.83
    - fair-esm==2.0.0