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molgct_env.yaml
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molgct_env.yaml
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name: molgct
channels:
- rdkit
- pytorch
- defaults
dependencies:
- blas=1.0=mkl
- bottleneck=1.3.2=py37h2a96729_1
- ca-certificates=2021.10.26=haa95532_2
- cairo=1.14.12=hf171d8a_3
- certifi=2021.10.8=py37haa95532_0
- colorama=0.4.4=pyhd3eb1b0_0
- cudatoolkit=10.1.243=h74a9793_0
- dill=0.3.4=pyhd3eb1b0_0
- freetype=2.10.4=hd328e21_0
- icu=58.2=ha925a31_3
- importlib-metadata=3.10.0=py37haa95532_0
- joblib=1.1.0=pyhd3eb1b0_0
- jpeg=9b=hb83a4c4_2
- libboost=1.67.0=hd9e427e_4
- libpng=1.6.37=h2a8f88b_0
- libtiff=4.2.0=hd0e1b90_0
- lz4-c=1.9.3=h2bbff1b_1
- mkl=2021.3.0=haa95532_524
- mkl-service=2.4.0=py37h2bbff1b_0
- mkl_fft=1.3.0=py37h277e83a_2
- mkl_random=1.2.2=py37hf11a4ad_0
- ninja=1.10.2=h6d14046_1
- nltk=3.6.2=pyhd3eb1b0_0
- numexpr=2.7.3=py37hb80d3ca_1
- olefile=0.46=py37_0
- openssl=1.1.1l=h2bbff1b_0
- pillow=8.3.1=py37h4fa10fc_0
- pixman=0.40.0=he774522_0
- py-boost=1.67.0=py37h8300f20_4
- python=3.7.11=h6244533_0
- python-dateutil=2.8.2=pyhd3eb1b0_0
- pytorch=1.6.0=py3.7_cuda101_cudnn7_0
- pytz=2021.1=pyhd3eb1b0_0
- rdkit=2020.09.1.0=py37h3d1ada6_1
- regex=2021.4.4=py37h2bbff1b_0
- setuptools=52.0.0=py37haa95532_0
- six=1.16.0=pyhd3eb1b0_0
- sqlite=3.36.0=h2bbff1b_0
- tk=8.6.10=he774522_0
- torchvision=0.7.0=py37_cu101
- tqdm=4.62.0=pyhd3eb1b0_1
- typing_extensions=3.10.0.0=pyh06a4308_0
- vc=14.2=h21ff451_1
- vs2015_runtime=14.27.29016=h5e58377_2
- wheel=0.36.2=pyhd3eb1b0_0
- wincertstore=0.2=py37_0
- xz=5.2.5=h62dcd97_0
- zipp=3.5.0=pyhd3eb1b0_0
- zlib=1.2.11=h62dcd97_4
- zstd=1.4.9=h19a0ad4_0
- pip:
- blis==0.7.4
- catalogue==2.0.4
- charset-normalizer==2.0.4
- click==7.1.2
- cycler==0.10.0
- cymem==2.0.5
- cython==0.29.21
- fastprogress==1.0.0
- fcd-torch==1.0.7
- future==0.18.2
- gensim==4.0.1
- idna==3.2
- intel-openmp==2021.3.0
- jinja2==3.0.1
- kiwisolver==1.3.1
- markupsafe==2.0.1
- matplotlib==3.4.2
- molsets==0.3.1
- murmurhash==1.0.5
- networkx==2.6.2
- numpy==1.16.0
- packaging==21.0
- pandas==1.1.3
- pathy==0.6.0
- pip==22.2.1
- pomegranate==0.12.0
- preshed==3.0.5
- pydantic==1.8.2
- pyparsing==2.4.7
- pyyaml==5.4.1
- requests==2.26.0
- scikit-learn==0.21.3
- scipy==1.3.1
- seaborn==0.11.1
- selfies==1.0.4
- sentencepiece==0.1.96
- smart-open==5.1.0
- smilespe==0.0.3
- spacy==3.1.1
- spacy-legacy==3.0.8
- srsly==2.4.1
- thinc==8.0.8
- threadpoolctl==2.2.0
- torchtext==0.6.0
- typer==0.3.2
- urllib3==1.26.6
- wasabi==0.8.2
prefix: C:\ProgramData\Anaconda3\envs\molgct