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environment.yaml
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environment.yaml
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name: solv
channels:
- pytorch
- conda-forge
- defaults
dependencies:
- _libgcc_mutex=0.1=conda_forge
- _openmp_mutex=4.5=1_llvm
- blas=1.0=mkl
- ca-certificates=2021.10.8=ha878542_0
- cairo=1.16.0=ha00ac49_1009
- certifi=2021.5.30=py36h5fab9bb_0
- cffi=1.14.6=py36hd8eec40_1
- cpuonly=2.0=0
- dataclasses=0.8=pyh787bdff_2
- expat=2.4.7=h27087fc_0
- font-ttf-dejavu-sans-mono=2.37=hab24e00_0
- font-ttf-inconsolata=3.000=h77eed37_0
- font-ttf-source-code-pro=2.038=h77eed37_0
- font-ttf-ubuntu=0.83=hab24e00_0
- fontconfig=2.13.96=h8e229c2_1
- fonts-conda-ecosystem=1=0
- fonts-conda-forge=1=0
- freetype=2.10.4=h0708190_1
- future=0.18.2=py36h5fab9bb_3
- gettext=0.19.8.1=h73d1719_1008
- icu=69.1=h9c3ff4c_0
- ld_impl_linux-64=2.36.1=hea4e1c9_2
- libblas=3.9.0=12_linux64_mkl
- libcblas=3.9.0=12_linux64_mkl
- libffi=3.4.2=h7f98852_5
- libgcc-ng=11.2.0=h1d223b6_13
- libgfortran-ng=11.2.0=h69a702a_13
- libgfortran5=11.2.0=h5c6108e_13
- libglib=2.70.2=h174f98d_4
- libiconv=1.16=h516909a_0
- liblapack=3.9.0=12_linux64_mkl
- libnsl=2.0.0=h7f98852_0
- libpng=1.6.37=h21135ba_2
- libprotobuf=3.16.0=h780b84a_0
- libstdcxx-ng=11.2.0=he4da1e4_13
- libuuid=2.32.1=h7f98852_1000
- libuv=1.43.0=h7f98852_0
- libxcb=1.13=h7f98852_1004
- libxml2=2.9.12=h885dcf4_1
- libzlib=1.2.11=h36c2ea0_1013
- llvm-openmp=13.0.1=he0ac6c6_1
- mkl=2021.4.0=h8d4b97c_729
- ncurses=6.3=h9c3ff4c_0
- ninja=1.10.2=h4bd325d_1
- numpy=1.19.5=py36hfc0c790_2
- openbabel=3.1.1=py36he0ca515_2
- openssl=1.1.1l=h7f98852_0
- pandas=1.1.5=py36h284efc9_0
- parallel=20211222=ha770c72_0
- pcre=8.45=h9c3ff4c_0
- perl=5.32.1=2_h7f98852_perl5
- pip=21.3.1=pyhd8ed1ab_0
- pixman=0.40.0=h36c2ea0_0
- pthread-stubs=0.4=h36c2ea0_1001
- pycparser=2.21=pyhd8ed1ab_0
- python=3.6.15=hb7a2778_0_cpython
- python-dateutil=2.8.2=pyhd8ed1ab_0
- python_abi=3.6=2_cp36m
- pytorch=1.10.2=py3.6_cpu_0
- pytorch-mutex=1.0=cpu
- pytz=2021.3=pyhd8ed1ab_0
- readline=8.1=h46c0cb4_0
- scipy=1.5.3=py36h81d768a_1
- setuptools=58.0.4=py36h5fab9bb_2
- six=1.16.0=pyh6c4a22f_0
- sleef=3.5.1=h9b69904_2
- sqlite=3.37.0=h9cd32fc_0
- tbb=2021.5.0=h4bd325d_0
- tk=8.6.12=h27826a3_0
- typing_extensions=4.1.1=pyha770c72_0
- wheel=0.37.1=pyhd8ed1ab_0
- xorg-kbproto=1.0.7=h7f98852_1002
- xorg-libice=1.0.10=h7f98852_0
- xorg-libsm=1.2.3=hd9c2040_1000
- xorg-libx11=1.7.2=h7f98852_0
- xorg-libxau=1.0.9=h7f98852_0
- xorg-libxdmcp=1.1.3=h7f98852_0
- xorg-libxext=1.3.4=h7f98852_1
- xorg-libxrender=0.9.10=h7f98852_1003
- xorg-renderproto=0.11.1=h7f98852_1002
- xorg-xextproto=7.3.0=h7f98852_1002
- xorg-xproto=7.0.31=h7f98852_1007
- xz=5.2.5=h516909a_1
- zlib=1.2.11=h36c2ea0_1013
- pip:
- charset-normalizer==2.0.12
- decorator==4.4.2
- freesasa==2.1.0
- googledrivedownloader==0.4
- idna==3.3
- importlib-resources==5.4.0
- isodate==0.6.1
- jinja2==3.0.3
- joblib==1.1.0
- markupsafe==2.0.1
- networkx==2.5.1
- pyparsing==3.0.7
- pyyaml==6.0
- rdflib==5.0.0
- requests==2.27.1
- scikit-learn==0.24.2
- threadpoolctl==3.1.0
- torch-cluster==1.5.9
- torch-geometric==2.0.3
- torch-scatter==2.0.9
- torch-sparse==0.6.12
- torch-spline-conv==1.2.1
- tqdm==4.63.0
- urllib3==1.26.8
- yacs==0.1.8
- zipp==3.6.0
prefix: /scratch/xp2042/soft/miniconda3/envs/solv