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protac-stan.yml
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name: protac-stan
channels:
- pyg
- pytorch
- nvidia
- conda-forge
- defaults
dependencies:
- _libgcc_mutex=0.1=main
- _openmp_mutex=5.1=1_gnu
- aiohttp=3.9.3=py311h5eee18b_0
- aiosignal=1.2.0=pyhd3eb1b0_0
- asttokens=2.4.1=pyhd8ed1ab_0
- attrs=23.1.0=py311h06a4308_0
- blas=1.0=mkl
- bottleneck=1.3.7=py311hf4808d0_0
- brotli=1.0.9=h5eee18b_7
- brotli-bin=1.0.9=h5eee18b_7
- brotli-python=1.0.9=py311h6a678d5_7
- bzip2=1.0.8=h5eee18b_5
- ca-certificates=2024.9.24=h06a4308_0
- certifi=2024.8.30=py311h06a4308_0
- charset-normalizer=2.0.4=pyhd3eb1b0_0
- comm=0.2.2=pyhd8ed1ab_0
- contourpy=1.2.0=py311hdb19cb5_0
- cuda-cudart=11.8.89=0
- cuda-cupti=11.8.87=0
- cuda-libraries=11.8.0=0
- cuda-nvrtc=11.8.89=0
- cuda-nvtx=11.8.86=0
- cuda-runtime=11.8.0=0
- cycler=0.11.0=pyhd3eb1b0_0
- cyrus-sasl=2.1.28=h52b45da_1
- dbus=1.13.18=hb2f20db_0
- debugpy=1.6.7=py311h6a678d5_0
- decorator=5.1.1=pyhd8ed1ab_0
- exceptiongroup=1.2.0=pyhd8ed1ab_2
- executing=2.0.1=pyhd8ed1ab_0
- expat=2.5.0=h6a678d5_0
- ffmpeg=4.3=hf484d3e_0
- filelock=3.13.1=py311h06a4308_0
- fontconfig=2.14.1=h4c34cd2_2
- fonttools=4.25.0=pyhd3eb1b0_0
- freetype=2.12.1=h4a9f257_0
- frozenlist=1.4.0=py311h5eee18b_0
- fsspec=2023.10.0=py311h06a4308_0
- glib=2.78.4=h6a678d5_0
- glib-tools=2.78.4=h6a678d5_0
- gmp=6.2.1=h295c915_3
- gmpy2=2.1.2=py311hc9b5ff0_0
- gnutls=3.6.15=he1e5248_0
- gst-plugins-base=1.14.1=h6a678d5_1
- gstreamer=1.14.1=h5eee18b_1
- icu=73.1=h6a678d5_0
- idna=3.4=py311h06a4308_0
- importlib-metadata=7.1.0=pyha770c72_0
- importlib_metadata=7.1.0=hd8ed1ab_0
- intel-openmp=2023.1.0=hdb19cb5_46306
- ipykernel=6.29.3=pyhd33586a_0
- ipython=8.22.2=pyh707e725_0
- ipywidgets=8.1.2=py311h06a4308_0
- jedi=0.19.1=pyhd8ed1ab_0
- jinja2=3.1.3=py311h06a4308_0
- joblib=1.2.0=py311h06a4308_0
- jpeg=9e=h5eee18b_1
- jupyter_client=8.6.1=pyhd8ed1ab_0
- jupyter_core=5.7.2=py311h38be061_0
- jupyterlab_widgets=3.0.10=py311h06a4308_0
- kiwisolver=1.4.4=py311h6a678d5_0
- krb5=1.20.1=h143b758_1
- lame=3.100=h7b6447c_0
- lcms2=2.12=h3be6417_0
- ld_impl_linux-64=2.38=h1181459_1
- lerc=3.0=h295c915_0
- libbrotlicommon=1.0.9=h5eee18b_7
- libbrotlidec=1.0.9=h5eee18b_7
- libbrotlienc=1.0.9=h5eee18b_7
- libclang=14.0.6=default_hc6dbbc7_1
- libclang13=14.0.6=default_he11475f_1
- libcublas=11.11.3.6=0
- libcufft=10.9.0.58=0
- libcufile=1.9.0.20=0
- libcups=2.4.2=h2d74bed_1
- libcurand=10.3.5.119=0
- libcusolver=11.4.1.48=0
- libcusparse=11.7.5.86=0
- libdeflate=1.17=h5eee18b_1
- libedit=3.1.20230828=h5eee18b_0
- libffi=3.4.4=h6a678d5_0
- libgcc-ng=11.2.0=h1234567_1
- libgfortran-ng=11.2.0=h00389a5_1
- libgfortran5=11.2.0=h1234567_1
- libglib=2.78.4=hdc74915_0
- libgomp=11.2.0=h1234567_1
- libiconv=1.16=h7f8727e_2
- libidn2=2.3.4=h5eee18b_0
- libjpeg-turbo=2.0.0=h9bf148f_0
- libllvm14=14.0.6=hdb19cb5_3
- libnpp=11.8.0.86=0
- libnvjpeg=11.9.0.86=0
- libpng=1.6.39=h5eee18b_0
- libpq=12.17=hdbd6064_0
- libsodium=1.0.18=h36c2ea0_1
- 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
- libuuid=1.41.5=h5eee18b_0
- libwebp-base=1.3.2=h5eee18b_0
- libxcb=1.15=h7f8727e_0
- libxkbcommon=1.0.1=h5eee18b_1
- libxml2=2.10.4=hf1b16e4_1
- llvm-openmp=14.0.6=h9e868ea_0
- lz4-c=1.9.4=h6a678d5_0
- markupsafe=2.1.3=py311h5eee18b_0
- matplotlib=3.8.0=py311h06a4308_0
- matplotlib-base=3.8.0=py311ha02d727_0
- matplotlib-inline=0.1.6=pyhd8ed1ab_0
- mkl=2023.1.0=h213fc3f_46344
- mkl-service=2.4.0=py311h5eee18b_1
- mkl_fft=1.3.8=py311h5eee18b_0
- mkl_random=1.2.4=py311hdb19cb5_0
- mpc=1.1.0=h10f8cd9_1
- mpfr=4.0.2=hb69a4c5_1
- mpmath=1.3.0=py311h06a4308_0
- multidict=6.0.4=py311h5eee18b_0
- munkres=1.1.4=py_0
- mysql=5.7.24=h721c034_2
- ncurses=6.4=h6a678d5_0
- nest-asyncio=1.6.0=pyhd8ed1ab_0
- nettle=3.7.3=hbbd107a_1
- networkx=3.1=py311h06a4308_0
- numexpr=2.8.7=py311h65dcdc2_0
- numpy=1.26.4=py311h08b1b3b_0
- numpy-base=1.26.4=py311hf175353_0
- openh264=2.1.1=h4ff587b_0
- openjpeg=2.4.0=h3ad879b_0
- openssl=3.0.15=h5eee18b_0
- packaging=24.0=pyhd8ed1ab_0
- parso=0.8.4=pyhd8ed1ab_0
- pcre2=10.42=hebb0a14_0
- pexpect=4.9.0=pyhd8ed1ab_0
- pickleshare=0.7.5=py_1003
- pillow=10.2.0=py311h5eee18b_0
- pip=23.3.1=py311h06a4308_0
- platformdirs=4.2.0=pyhd8ed1ab_0
- ply=3.11=py311h06a4308_0
- prompt-toolkit=3.0.42=pyha770c72_0
- psutil=5.9.0=py311h5eee18b_0
- ptyprocess=0.7.0=pyhd3deb0d_0
- pure_eval=0.2.2=pyhd8ed1ab_0
- pyg=2.5.1=py311_torch_2.1.0_cu118
- pygments=2.17.2=pyhd8ed1ab_0
- pyparsing=3.0.9=py311h06a4308_0
- pyqt=5.15.10=py311h6a678d5_0
- pyqt5-sip=12.13.0=py311h5eee18b_0
- pysocks=1.7.1=py311h06a4308_0
- python=3.11.8=h955ad1f_0
- python-tzdata=2023.3=pyhd3eb1b0_0
- python_abi=3.11=2_cp311
- pytorch=2.1.0=py3.11_cuda11.8_cudnn8.7.0_0
- pytorch-cuda=11.8=h7e8668a_5
- pytorch-mutex=1.0=cuda
- pyyaml=6.0.1=py311h5eee18b_0
- pyzmq=25.1.2=py311h6a678d5_0
- qt-main=5.15.2=h53bd1ea_10
- readline=8.2=h5eee18b_0
- requests=2.31.0=py311h06a4308_1
- scikit-learn=1.2.2=py311h6a678d5_1
- scipy=1.11.4=py311h08b1b3b_0
- seaborn=0.12.2=py311h06a4308_0
- setuptools=68.2.2=py311h06a4308_0
- sip=6.7.12=py311h6a678d5_0
- six=1.16.0=pyh6c4a22f_0
- sqlite=3.41.2=h5eee18b_0
- stack_data=0.6.2=pyhd8ed1ab_0
- sympy=1.12=py311h06a4308_0
- tbb=2021.8.0=hdb19cb5_0
- threadpoolctl=2.2.0=pyh0d69192_0
- tk=8.6.12=h1ccaba5_0
- torchaudio=2.1.0=py311_cu118
- torchtriton=2.1.0=py311
- torchvision=0.16.0=py311_cu118
- tornado=6.3.3=py311h5eee18b_0
- tqdm=4.65.0=py311h92b7b1e_0
- traitlets=5.14.2=pyhd8ed1ab_0
- typing_extensions=4.9.0=py311h06a4308_1
- urllib3=2.1.0=py311h06a4308_1
- wcwidth=0.2.13=pyhd8ed1ab_0
- wheel=0.41.2=py311h06a4308_0
- widgetsnbextension=4.0.10=py311h06a4308_0
- xz=5.4.6=h5eee18b_0
- yaml=0.2.5=h7b6447c_0
- yarl=1.9.3=py311h5eee18b_0
- zeromq=4.3.5=h6a678d5_0
- zipp=3.17.0=pyhd8ed1ab_0
- zlib=1.2.13=h5eee18b_0
- zstd=1.5.5=hc292b87_0
- pip:
- appdirs==1.4.4
- biopython==1.83
- click==8.1.7
- docker-pycreds==0.4.0
- gitdb==4.0.11
- gitpython==3.1.42
- pandas==2.1.1
- protobuf==4.25.3
- py3dmol==2.4.0
- python-dateutil==2.9.0.post0
- pytz==2024.1
- rdkit==2023.9.2
- sentry-sdk==1.42.0
- setproctitle==1.3.3
- smmap==5.0.1
- toml==0.10.2
- torch-scatter==2.1.2+pt21cu118
- tzdata==2024.1
- wandb==0.16.4
prefix: /home/cuda/anaconda3/envs/protac-stan