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environment.yml
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environment.yml
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name: tAMPer
channels:
- pytorch
- pyg
- salilab
- nvidia
- conda-forge
- defaults
dependencies:
- _libgcc_mutex=0.1=main
- _openmp_mutex=5.1=1_gnu
- appdirs=1.4.4=pyhd3eb1b0_0
- biopython=1.79=py310h6acc77f_1
- blas=1.0=mkl
- bottleneck=1.3.5=py310ha9d4c09_0
- brotlipy=0.7.0=py310h7f8727e_1002
- bzip2=1.0.8=h7b6447c_0
- ca-certificates=2022.12.7=ha878542_0
- certifi=2022.12.7=pyhd8ed1ab_0
- cffi=1.15.1=py310h5eee18b_3
- charset-normalizer=2.0.4=pyhd3eb1b0_0
- click=8.1.3=unix_pyhd8ed1ab_2
- cryptography=39.0.1=py310h9ce1e76_0
- cuda-cudart=11.7.99=0
- cuda-cupti=11.7.101=0
- cuda-libraries=11.7.1=0
- cuda-nvrtc=11.7.99=0
- cuda-nvtx=11.7.91=0
- cuda-runtime=11.7.1=0
- docker-pycreds=0.4.0=py_0
- dssp=3.0.0=h3fd9d12_4
- gitdb=4.0.10=pyhd8ed1ab_0
- gitpython=3.1.31=pyhd8ed1ab_0
- icu=58.2=he6710b0_3
- idna=3.4=py310h06a4308_0
- intel-openmp=2021.4.0=h06a4308_3561
- jinja2=3.1.2=py310h06a4308_0
- joblib=1.1.1=py310h06a4308_0
- ld_impl_linux-64=2.38=h1181459_1
- libboost=1.73.0=h28710b8_12
- libcublas=11.10.3.66=0
- libcufft=10.7.2.124=h4fbf590_0
- libcufile=1.6.1.9=0
- libcurand=10.3.2.106=0
- libcusolver=11.4.0.1=0
- libcusparse=11.7.4.91=0
- libffi=3.4.2=h6a678d5_6
- libgcc-ng=11.2.0=h1234567_1
- libgfortran-ng=11.2.0=h00389a5_1
- libgfortran5=11.2.0=h1234567_1
- libgomp=11.2.0=h1234567_1
- libnpp=11.7.4.75=0
- libnvjpeg=11.8.0.2=0
- libprotobuf=3.20.3=he621ea3_0
- libstdcxx-ng=11.2.0=h1234567_1
- libuuid=1.41.5=h5eee18b_0
- loguru=0.7.0=py310hff52083_0
- lz4-c=1.9.4=h6a678d5_0
- markupsafe=2.1.1=py310h7f8727e_0
- 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
- ncurses=6.4=h6a678d5_0
- numexpr=2.8.4=py310h8879344_0
- numpy=1.24.3=py310hd5efca6_0
- numpy-base=1.24.3=py310h8e6c178_0
- openssl=1.1.1t=h7f8727e_0
- packaging=23.0=py310h06a4308_0
- pandas=1.5.3=py310h1128e8f_0
- pathtools=0.1.2=py_1
- pip=23.0.1=py310h06a4308_0
- pooch=1.4.0=pyhd3eb1b0_0
- protobuf=3.20.3=py310h6a678d5_0
- psutil=5.9.0=py310h5eee18b_0
- pycparser=2.21=pyhd3eb1b0_0
- pyg=2.3.0=py310_torch_1.13.0_cu117
- pyopenssl=23.0.0=py310h06a4308_0
- pyparsing=3.0.9=py310h06a4308_0
- pysocks=1.7.1=py310h06a4308_0
- python=3.10.8=h7a1cb2a_1
- python-dateutil=2.8.2=pyhd3eb1b0_0
- python_abi=3.10=2_cp310
- pytorch=1.13.1=py3.10_cuda11.7_cudnn8.5.0_0
- pytorch-cluster=1.6.1=py310_torch_1.13.0_cu117
- pytorch-cuda=11.7=h778d358_3
- pytorch-mutex=1.0=cuda
- pytorch-scatter=2.1.1=py310_torch_1.13.0_cu117
- pytz=2022.7=py310h06a4308_0
- pyyaml=6.0=py310h5764c6d_4
- readline=8.2=h5eee18b_0
- requests=2.29.0=py310h06a4308_0
- scikit-learn=1.2.2=py310h6a678d5_0
- scipy=1.10.1=py310hd5efca6_0
- sentry-sdk=1.21.1=pyhd8ed1ab_0
- setproctitle=1.2.2=py310h5764c6d_2
- setuptools=66.0.0=py310h06a4308_0
- six=1.16.0=pyhd3eb1b0_1
- smmap=3.0.5=pyh44b312d_0
- sqlite=3.41.2=h5eee18b_0
- tbb=2021.8.0=hdb19cb5_0
- threadpoolctl=2.2.0=pyh0d69192_0
- tk=8.6.12=h1ccaba5_0
- tqdm=4.65.0=py310h2f386ee_0
- typing_extensions=4.5.0=py310h06a4308_0
- tzdata=2023c=h04d1e81_0
- urllib3=1.26.15=py310h06a4308_0
- wandb=0.15.1=pyhd8ed1ab_0
- wheel=0.38.4=py310h06a4308_0
- xz=5.4.2=h5eee18b_0
- yaml=0.2.5=h7f98852_2
- zlib=1.2.13=h5eee18b_0
- zstd=1.5.5=hc292b87_0
- pip:
- fair-esm==2.0.0
prefix: /projects/btl/hebrahimi/miniconda3/envs/tAMPer