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environment.yml
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environment.yml
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name: RhoDesign
channels:
- pytorch
- defaults
dependencies:
- _libgcc_mutex=0.1=main
- _openmp_mutex=5.1=1_gnu
- blas=1.0=mkl
- bzip2=1.0.8=h7b6447c_0
- ca-certificates=2023.12.12=h06a4308_0
- certifi=2024.2.2=py39h06a4308_0
- charset-normalizer=2.0.4=pyhd3eb1b0_0
- cudatoolkit=11.3.1=h2bc3f7f_2
- ffmpeg=4.3=hf484d3e_0
- freetype=2.12.1=h4a9f257_0
- gmp=6.2.1=h295c915_3
- gnutls=3.6.15=he1e5248_0
- idna=3.4=py39h06a4308_0
- intel-openmp=2023.1.0=hdb19cb5_46306
- jpeg=9e=h5eee18b_1
- lame=3.100=h7b6447c_0
- lcms2=2.12=h3be6417_0
- ld_impl_linux-64=2.38=h1181459_1
- lerc=3.0=h295c915_0
- libdeflate=1.17=h5eee18b_1
- libffi=3.4.4=h6a678d5_0
- libgcc-ng=11.2.0=h1234567_1
- libgomp=11.2.0=h1234567_1
- libiconv=1.16=h7f8727e_2
- libidn2=2.3.4=h5eee18b_0
- libpng=1.6.39=h5eee18b_0
- libstdcxx-ng=11.2.0=h1234567_1
- libtasn1=4.19.0=h5eee18b_0
- libtiff=4.5.1=h6a678d5_0
- libunistring=0.9.10=h27cfd23_0
- libwebp-base=1.3.2=h5eee18b_0
- lz4-c=1.9.4=h6a678d5_0
- 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
- nettle=3.7.3=hbbd107a_1
- numpy=1.26.3=py39h5f9d8c6_0
- numpy-base=1.26.3=py39hb5e798b_0
- openh264=2.1.1=h4ff587b_0
- openjpeg=2.4.0=h3ad879b_0
- openssl=3.0.13=h7f8727e_0
- pillow=10.2.0=py39h5eee18b_0
- pip=23.3.1=py39h06a4308_0
- python=3.9.18=h955ad1f_0
- pytorch=1.12.1=py3.9_cuda11.3_cudnn8.3.2_0
- pytorch-mutex=1.0=cuda
- readline=8.2=h5eee18b_0
- requests=2.31.0=py39h06a4308_1
- setuptools=68.2.2=py39h06a4308_0
- sqlite=3.41.2=h5eee18b_0
- tbb=2021.8.0=hdb19cb5_0
- tk=8.6.12=h1ccaba5_0
- torchaudio=0.12.1=py39_cu113
- torchvision=0.13.1=py39_cu113
- typing_extensions=4.9.0=py39h06a4308_1
- tzdata=2023d=h04d1e81_0
- urllib3=2.1.0=py39h06a4308_0
- wheel=0.41.2=py39h06a4308_0
- xz=5.4.5=h5eee18b_0
- zlib=1.2.13=h5eee18b_0
- zstd=1.5.5=hc292b87_0
- pip:
- aiohttp==3.9.3
- aiosignal==1.3.1
- async-timeout==4.0.3
- attrs==23.2.0
- biotite==0.39.0
- frozenlist==1.4.1
- fsspec==2024.2.0
- jinja2==3.1.3
- joblib==1.3.2
- markupsafe==2.1.5
- msgpack==1.0.7
- multidict==6.0.5
- networkx==3.2.1
- psutil==5.9.8
- pyparsing==3.1.1
- scikit-learn==1.4.1.post1
- scipy==1.12.0
- threadpoolctl==3.3.0
- torch-cluster==1.6.3
- torch-geometric==2.5.0
- torch-scatter==2.1.2
- torch-sparse==0.6.18
- torch-spline-conv==1.2.2
- tqdm==4.66.2
- yarl==1.9.4