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environment.yml
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name: inverse
channels:
- https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/pytorch
- pyg
- https://mirrors.tuna.tsinghua.edu.cn/anaconda/pkgs/main
- https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/conda-forge
- http://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/msys2/
- http://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/conda-forge
- http://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/bioconda
- http://mirrors.tuna.tsinghua.edu.cn/anaconda/pkgs/free/
- https://mirrors.tuna.tsinghua.edu.cn/anaconda/pkgs/msys2/
- https://mirrors.tuna.tsinghua.edu.cn/anaconda/pkgs/free/
- https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/conda-forge/
- https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/bioconda/
- https://mirrors.tuna.tsinghua.edu.cn/anaconda/pkgs/main/
- defaults
dependencies:
- _libgcc_mutex=0.1=conda_forge
- _openmp_mutex=4.5=2_kmp_llvm
- aiohttp=3.9.5=py39h5eee18b_0
- aiosignal=1.3.1=pyhd8ed1ab_0
- async-timeout=4.0.3=pyhd8ed1ab_0
- attrs=24.2.0=pyh71513ae_0
- blas=1.0=openblas
- brotli-python=1.0.9=py39h5a03fae_7
- ca-certificates=2024.8.30=hbcca054_0
- certifi=2024.8.30=pyhd8ed1ab_0
- cffi=1.16.0=py39h5eee18b_1
- charset-normalizer=3.3.2=pyhd8ed1ab_0
- colorama=0.4.6=pyhd8ed1ab_0
- cudatoolkit=11.3.1=h2bc3f7f_2
- filelock=3.13.1=py39h06a4308_0
- frozenlist=1.4.0=py39h5eee18b_0
- fsspec=2024.6.1=pyhff2d567_0
- future=1.0.0=pyhd8ed1ab_0
- gmp=6.2.1=h295c915_3
- gmpy2=2.1.2=py39heeb90bb_0
- idna=3.8=pyhd8ed1ab_0
- intel-openmp=2023.1.0=hdb19cb5_46306
- jinja2=3.1.4=py39h06a4308_0
- joblib=1.4.2=pyhd8ed1ab_0
- ld_impl_linux-64=2.38=h1181459_1
- libblas=3.9.0=8_openblas
- libcblas=3.9.0=8_openblas
- libffi=3.4.4=h6a678d5_1
- libgcc=14.1.0=h77fa898_1
- libgcc-ng=14.1.0=h69a702a_1
- libgfortran-ng=7.5.0=h14aa051_20
- libgfortran4=7.5.0=h14aa051_20
- liblapack=3.9.0=8_openblas
- libopenblas=0.3.12=pthreads_hb3c22a3_1
- libprotobuf=3.20.3=he621ea3_0
- libstdcxx=14.1.0=hc0a3c3a_1
- libstdcxx-ng=14.1.0=h4852527_1
- llvm-openmp=14.0.6=h9e868ea_0
- markupsafe=2.1.3=py39h5eee18b_0
- mkl=2023.1.0=h213fc3f_46344
- mpc=1.1.0=h10f8cd9_1
- mpfr=4.0.2=hb69a4c5_1
- mpmath=1.3.0=py39h06a4308_0
- multidict=6.0.4=py39h5eee18b_0
- ncurses=6.4=h6a678d5_0
- networkx=3.2.1=py39h06a4308_0
- ninja=1.10.2=h06a4308_5
- ninja-base=1.10.2=hd09550d_5
- numpy=1.22.3=py39hc58783e_2
- openssl=3.3.2=hb9d3cd8_0
- pip=24.2=py39h06a4308_0
- psutil=5.9.0=py39h5eee18b_0
- pycparser=2.22=pyhd8ed1ab_0
- pyg=2.5.2=py39_torch_1.12.0_cu113
- pyparsing=3.1.4=pyhd8ed1ab_0
- pysocks=1.7.1=pyha2e5f31_6
- python=3.9.19=h955ad1f_1
- python_abi=3.9=2_cp39
- pytorch=1.12.1=cpu_py39h9dbd814_1
- pytorch-mutex=1.0=cpu
- pyyaml=6.0.1=py39h5eee18b_0
- readline=8.2=h5eee18b_0
- requests=2.32.3=pyhd8ed1ab_0
- scikit-learn=0.24.2=py39h7c5d8c9_1
- scipy=1.5.3=py39hf3f25e7_0
- setuptools=72.1.0=py39h06a4308_0
- sqlite=3.45.3=h5eee18b_0
- sympy=1.13.2=py39h06a4308_0
- tbb=2021.8.0=hdb19cb5_0
- threadpoolctl=3.5.0=pyhc1e730c_0
- tk=8.6.14=h39e8969_0
- tqdm=4.66.5=pyhd8ed1ab_0
- typing-extensions=4.11.0=py39h06a4308_0
- typing_extensions=4.11.0=py39h06a4308_0
- tzdata=2024a=h04d1e81_0
- urllib3=2.2.2=pyhd8ed1ab_0
- wheel=0.43.0=py39h06a4308_0
- xz=5.4.6=h5eee18b_1
- yaml=0.2.5=h7b6447c_0
- yarl=1.7.2=py39hb9d737c_2
- zlib=1.2.13=h5eee18b_1
- pip:
- biotite==0.40.0
- fair-esm==2.0.1
- msgpack==1.0.8
prefix: /hpcfs/fhome/yangchh/.conda/envs/inverse