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environment.yml
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environment.yml
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name: bartsmiles
channels:
- pytorch
- nvidia
- conda-forge
- defaults
dependencies:
- _libgcc_mutex=0.1
- _openmp_mutex=5.1
- blas=1.0
- bottleneck=1.3.5
- brotlipy=0.7.0
- ca-certificates=2022.9.24
- certifi=2022.9.24
- cffi=1.15.1
- charset-normalizer=2.1.1
- click=8.1.3
- cryptography=3.4.8
- cuda=11.6.2
- cuda-cccl=11.6.55
- cuda-command-line-tools=11.6.2
- cuda-compiler=11.6.2
- cuda-cudart=11.6.55
- cuda-cudart-dev=11.6.55
- cuda-cuobjdump=11.6.124
- cuda-cupti=11.6.124
- cuda-cuxxfilt=11.6.124
- cuda-driver-dev=11.6.55
- cuda-gdb=11.8.86
- cuda-libraries=11.6.2
- cuda-libraries-dev=11.6.2
- cuda-memcheck=11.8.86
- cuda-nsight=11.8.86
- cuda-nsight-compute=11.8.0
- cuda-nvcc=11.6.124
- cuda-nvdisasm=11.8.86
- cuda-nvml-dev=11.6.55
- cuda-nvprof=11.8.87
- cuda-nvprune=11.6.124
- cuda-nvrtc=11.6.124
- cuda-nvrtc-dev=11.6.124
- cuda-nvtx=11.6.124
- cuda-nvvp=11.8.87
- cuda-runtime=11.6.2
- cuda-samples=11.6.101
- cuda-sanitizer-api=11.8.86
- cuda-toolkit=11.6.2
- cuda-tools=11.6.2
- cuda-visual-tools=11.6.2
- deepchem=2.6.1
- docker-pycreds=0.4.0
- fftw=3.3.9
- gds-tools=1.4.0.31
- gitdb=4.0.9
- gitpython=3.1.29
- idna=3.4
- intel-openmp=2021.4.0
- joblib=1.1.1
- ld_impl_linux-64=2.38
- libcublas=11.11.3.6
- libcublas-dev=11.11.3.6
- libcufft=10.9.0.58
- libcufft-dev=10.9.0.58
- libcufile=1.4.0.31
- libcufile-dev=1.4.0.31
- libcurand=10.3.0.86
- libcurand-dev=10.3.0.86
- libcusolver=11.4.1.48
- libcusolver-dev=11.4.1.48
- libcusparse=11.7.5.86
- libcusparse-dev=11.7.5.86
- libffi=3.3
- libgcc-ng=11.2.0
- libgfortran-ng=11.2.0
- libgfortran5=11.2.0
- libgomp=11.2.0
- libnpp=11.8.0.86
- libnpp-dev=11.8.0.86
- libnvjpeg=11.9.0.86
- libnvjpeg-dev=11.9.0.86
- libprotobuf=3.15.8
- libstdcxx-ng=11.2.0
- mkl=2021.4.0
- mkl-service=2.4.0
- mkl_fft=1.3.1
- mkl_random=1.2.2
- ncurses=6.3
- nsight-compute=2022.3.0.22
- numexpr=2.8.4
- numpy-base=1.23.4
- openssl=1.1.1s
- packaging=21.3
- pandas=1.5.1
- pathtools=0.1.2
- pip=22.2.2
- promise=2.3
- protobuf=3.15.8
- psutil=5.9.0
- pycparser=2.21
- pyopenssl=20.0.1
- pyparsing=3.0.9
- pysocks=1.7.1
- python=3.9.15
- python-dateutil=2.8.2
- python_abi=3.9
- pytorch=1.13.0
- pytorch-cuda=11.6
- pytorch-mutex=1.0
- pytz=2022.1
- pyyaml=6.0
- readline=8.2
- requests=2.28.1
- scikit-learn=1.1.3
- scipy=1.9.3
- sentry-sdk=1.11.0
- setproctitle=1.1.10
- setuptools=65.5.0
- shortuuid=1.0.11
- six=1.16.0
- smmap=3.0.5
- sqlite=3.39.3
- threadpoolctl=2.2.0
- tk=8.6.12
- typing_extensions=4.3.0
- tzdata=2022f
- urllib3=1.26.11
- wandb=0.13.5
- wheel=0.37.1
- xz=5.2.6
- yaml=0.2.5
- zlib=1.2.13
- pip:
- antlr4-python3-runtime==4.8
- bitarray==2.6.0
- colorama==0.4.6
- cython==0.29.32
- fairseq==0.12.2
- hydra-core==1.0.7
- lxml==4.9.1
- numpy==1.23.5
- omegaconf==2.0.6
- pillow==9.3.0
- portalocker==2.6.0
- rdkit==2022.9.1
- regex==2022.10.31
- sacrebleu==2.3.1
- sentencepiece==0.1.97
- tabulate==0.9.0
- torchaudio==0.13.0
- tqdm==4.64.1
prefix: /home/gayane/miniconda3/envs/bartsmiles