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environment.yml
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name: bpnn_test
channels:
- conda-forge
- defaults
dependencies:
- _libgcc_mutex=0.1=main
- _openmp_mutex=5.1=1_gnu
- astroid=2.11.6=py310hff52083_0
- blas=1.0=mkl
- bottleneck=1.3.5=py310ha9d4c09_0
- brotli=1.0.9=he6710b0_2
- bzip2=1.0.8=h7b6447c_0
- ca-certificates=2022.6.15=ha878542_0
- certifi=2022.6.15=py310hff52083_0
- cffi=1.15.0=py310hd667e15_1
- colorama=0.4.5=pyhd8ed1ab_0
- cycler=0.11.0=pyhd3eb1b0_0
- dbus=1.13.18=hb2f20db_0
- dill=0.3.5.1=pyhd8ed1ab_0
- expat=2.4.4=h295c915_0
- fontconfig=2.13.1=h6c09931_0
- fonttools=4.25.0=pyhd3eb1b0_0
- freetype=2.11.0=h70c0345_0
- future=0.18.2=py310h06a4308_1
- giflib=5.2.1=h7b6447c_0
- glib=2.69.1=h4ff587b_1
- gmp=6.2.1=h295c915_3
- gmpy2=2.1.2=py310heeb90bb_0
- gst-plugins-base=1.14.0=h8213a91_2
- gstreamer=1.14.0=h28cd5cc_2
- icu=58.2=he6710b0_3
- importlib-metadata=4.11.4=py310hff52083_0
- intel-openmp=2021.4.0=h06a4308_3561
- isort=5.10.1=pyhd8ed1ab_0
- jedi=0.17.2=py310hff52083_2
- jpeg=9e=h7f8727e_0
- kiwisolver=1.4.2=py310h295c915_0
- lazy-object-proxy=1.7.1=py310h5764c6d_1
- lcms2=2.12=h3be6417_0
- ld_impl_linux-64=2.38=h1181459_1
- libffi=3.3=he6710b0_2
- libgcc-ng=11.2.0=h1234567_1
- libgomp=11.2.0=h1234567_1
- libpng=1.6.37=hbc83047_0
- libstdcxx-ng=11.2.0=h1234567_1
- libtiff=4.2.0=h2818925_1
- libuuid=1.0.3=h7f8727e_2
- libwebp=1.2.2=h55f646e_0
- libwebp-base=1.2.2=h7f8727e_0
- libxcb=1.15=h7f8727e_0
- libxml2=2.9.14=h74e7548_0
- lz4-c=1.9.3=h295c915_1
- matplotlib=3.5.1=py310h06a4308_1
- matplotlib-base=3.5.1=py310ha18d171_1
- mccabe=0.6.1=py_1
- mkl=2021.4.0=h06a4308_640
- mkl-service=2.4.0=py310h7f8727e_0
- mkl_fft=1.3.1=py310hd6ae3a3_0
- mkl_random=1.2.2=py310h00e6091_0
- mpc=1.1.0=h10f8cd9_1
- mpfr=4.0.2=hb69a4c5_1
- munkres=1.1.4=py_0
- ncurses=6.3=h5eee18b_3
- ninja=1.10.2=h06a4308_5
- ninja-base=1.10.2=hd09550d_5
- numexpr=2.8.3=py310hcea2de6_0
- numpy=1.22.3=py310hfa59a62_0
- numpy-base=1.22.3=py310h9585f30_0
- openssl=1.1.1p=h5eee18b_0
- packaging=21.3=pyhd3eb1b0_0
- pandas=1.4.2=py310h295c915_0
- parso=0.7.1=pyh9f0ad1d_0
- pcre=8.45=h295c915_0
- pillow=9.0.1=py310h22f2fdc_0
- pip=21.2.4=py310h06a4308_0
- platformdirs=2.5.1=pyhd8ed1ab_0
- pluggy=1.0.0=py310hff52083_3
- pycparser=2.21=pyhd3eb1b0_0
- pydocstyle=6.1.1=pyhd8ed1ab_0
- pylint=2.14.4=pyhd8ed1ab_0
- pyparsing=3.0.4=pyhd3eb1b0_0
- pyqt=5.9.2=py310h295c915_6
- python=3.10.4=h12debd9_0
- python-dateutil=2.8.2=pyhd3eb1b0_0
- python-jsonrpc-server=0.4.0=pyh9f0ad1d_0
- python-language-server=0.36.2=pyhd3eb1b0_0
- python_abi=3.10=2_cp310
- pytoolconfig=1.2.1=pyhd8ed1ab_0
- pytorch=1.10.2=cpu_py310h6894f24_0
- pytz=2022.1=py310h06a4308_0
- qt=5.9.7=h5867ecd_1
- readline=8.1.2=h7f8727e_1
- rope=1.2.0=pyhd8ed1ab_0
- setuptools=61.2.0=py310h06a4308_0
- sip=4.19.13=py310h295c915_0
- six=1.16.0=pyhd3eb1b0_1
- snowballstemmer=2.2.0=pyhd8ed1ab_0
- sqlite=3.38.5=hc218d9a_0
- sympy=1.10.1=py310h06a4308_0
- tk=8.6.12=h1ccaba5_0
- toml=0.10.2=pyhd8ed1ab_0
- tomli=2.0.1=pyhd8ed1ab_0
- tomlkit=0.11.1=pyha770c72_0
- tornado=6.1=py310h7f8727e_0
- tqdm=4.64.0=pyhd8ed1ab_0
- typing=3.10.0.0=pyhd8ed1ab_0
- typing-extensions=4.1.1=hd3eb1b0_0
- typing_extensions=4.1.1=pyh06a4308_0
- tzdata=2022a=hda174b7_0
- ujson=5.3.0=py310hd8f1fbe_0
- wheel=0.37.1=pyhd3eb1b0_0
- wrapt=1.14.1=py310h5764c6d_0
- xz=5.2.5=h7f8727e_1
- yapf=0.32.0=pyhd8ed1ab_0
- zipp=3.8.0=pyhd8ed1ab_0
- zlib=1.2.12=h7f8727e_2
- zstd=1.5.2=ha4553b6_0
- pip:
- ase==3.22.1
- autopep8==1.6.0
- dscribe==1.2.1
- flake8==4.0.1
- joblib==1.1.0
- llvmlite==0.38.1
- mpmath==1.2.1
- numba==0.55.2
- pybind11==2.9.2
- pycodestyle==2.8.0
- pyflakes==2.4.0
- python-lsp-jsonrpc==1.0.0
- python-lsp-server==1.4.1
- rdkit==2022.3.4
- scikit-learn==1.1.1
- scipy==1.8.1
- sparse==0.13.0
- threadpoolctl==3.1.0
prefix: /theoryfs2/ds/amwalla3/miniconda3/envs/bpnn_test