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environment-data.yml
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environment-data.yml
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name: FGNN-data
channels:
- conda-forge
- pytorch
- defaults
dependencies:
- _libgcc_mutex=0.1=main
- _openmp_mutex=4.5=1_gnu
- blas=1.0=mkl
- bottleneck=1.3.4=py38hce1f21e_0
- brotlipy=0.7.0=py38h27cfd23_1003
- bzip2=1.0.8=h7b6447c_0
- ca-certificates=2022.07.19=h06a4308_0
- cairo=1.16.0=hf32fb01_1
- certifi=2021.10.8=py38h06a4308_2
- cffi=1.15.0=py38hd667e15_1
- charset-normalizer=2.0.4=pyhd3eb1b0_0
- cpuonly=2.0=0
- cryptography=37.0.1=py38h9ce1e76_0
- ffmpeg=4.3=hf484d3e_0
- fontconfig=2.13.1=h6c09931_0
- freetype=2.10.4=h0708190_1
- giflib=5.2.1=h7b6447c_0
- glib=2.69.1=h4ff587b_1
- gmp=6.2.1=h295c915_3
- gnutls=3.6.15=he1e5248_0
- icu=67.1=he1b5a44_0
- idna=3.3=pyhd3eb1b0_0
- intel-openmp=2021.4.0=h06a4308_3561
- jpeg=9e=h7f8727e_0
- lame=3.100=h7b6447c_0
- lcms2=2.12=h3be6417_0
- ld_impl_linux-64=2.35.1=h7274673_9
- libffi=3.3=he6710b0_2
- libgcc-ng=9.3.0=h5101ec6_17
- libgfortran-ng=7.5.0=ha8ba4b0_17
- libgfortran4=7.5.0=ha8ba4b0_17
- libgomp=9.3.0=h5101ec6_17
- libiconv=1.16=h516909a_0
- libidn2=2.3.2=h7f8727e_0
- libpng=1.6.37=h21135ba_2
- libstdcxx-ng=9.3.0=hd4cf53a_17
- libtasn1=4.16.0=h27cfd23_0
- libtiff=4.2.0=h2818925_1
- libunistring=0.9.10=h27cfd23_0
- libuuid=1.0.3=h7f8727e_2
- libwebp=1.2.2=h55f646e_0
- libwebp-base=1.2.2=h7f8727e_0
- libxcb=1.14=h7b6447c_0
- libxml2=2.9.10=h68273f3_2
- lz4-c=1.9.3=h295c915_1
- mkl=2021.4.0=h06a4308_640
- mkl-service=2.4.0=py38h7f8727e_0
- mkl_fft=1.3.1=py38hd3c417c_0
- mkl_random=1.2.2=py38h51133e4_0
- ncurses=6.3=h7f8727e_2
- nettle=3.7.3=hbbd107a_1
- numexpr=2.8.1=py38h6abb31d_0
- numpy=1.21.5=py38he7a7128_1
- numpy-base=1.21.5=py38hf524024_1
- openbabel=3.1.1=py38hf4b5c11_1
- openh264=2.1.1=h4ff587b_0
- openssl=1.1.1n=h7f8727e_0
- packaging=21.3=pyhd3eb1b0_0
- pandas=1.4.2=py38h295c915_0
- pcre=8.45=h9c3ff4c_0
- pillow=9.0.1=py38h22f2fdc_0
- pip=21.2.4=py38h06a4308_0
- pixman=0.40.0=h36c2ea0_0
- pycparser=2.21=pyhd3eb1b0_0
- pyopenssl=22.0.0=pyhd3eb1b0_0
- pyparsing=3.0.4=pyhd3eb1b0_0
- pysocks=1.7.1=py38h06a4308_0
- python=3.8.13=h12debd9_0
- python-dateutil=2.8.2=pyhd3eb1b0_0
- python_abi=3.8=2_cp38
- pytorch=1.12.1=py3.8_cpu_0
- pytorch-mutex=1.0=cpu
- pytz=2021.3=pyhd3eb1b0_0
- readline=8.1.2=h7f8727e_1
- requests=2.28.1=py38h06a4308_0
- scipy=1.7.3=py38hc147768_0
- setuptools=61.2.0=py38h06a4308_0
- six=1.16.0=pyhd3eb1b0_1
- sqlite=3.38.2=hc218d9a_0
- tk=8.6.11=h1ccaba5_0
- torchaudio=0.12.1=py38_cpu
- torchvision=0.13.1=py38_cpu
- tqdm=4.64.0=py38h06a4308_0
- typing_extensions=4.3.0=py38h06a4308_0
- urllib3=1.26.11=py38h06a4308_0
- wheel=0.37.1=pyhd3eb1b0_0
- xz=5.2.5=h7b6447c_0
- zlib=1.2.12=h7f8727e_2
- zstd=1.5.2=ha4553b6_0
- pip:
- docutils==0.17.1
- jinja2==3.1.2
- joblib==1.1.0
- markupsafe==2.1.1
- mmcif-pdbx==2.0.1
- pdb2pqr==3.5.2
- propka==3.4.0
- pytorch-warmup==0.1.1
- scikit-learn==1.1.2
- threadpoolctl==3.1.0
- torch-cluster==1.6.0
- torch-geometric==2.1.0.post1
- torch-scatter==2.0.9
- torch-sparse==0.6.14
- torch-spline-conv==1.2.1
prefix: /data/home/lndong/miniconda3/envs/sign