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environment-rdkit2019.yml
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name: /home/mpds/python/generative-optim/venv-rdkit2019
channels:
- rdkit
- pytorch
- anaconda
- conda-forge
- defaults
dependencies:
- _libgcc_mutex=0.1=conda_forge
- _openmp_mutex=4.5=2_gnu
- blas=1.0=mkl
- bottleneck=1.3.5=py37h7deecbd_0
- bzip2=1.0.8=h7b6447c_0
- ca-certificates=2023.08.22=h06a4308_0
- cairo=1.14.12=h8948797_3
- certifi=2022.12.7=py37h06a4308_0
- cudatoolkit=10.2.89=hfd86e86_1
- expat=2.5.0=h6a678d5_0
- fontconfig=2.14.1=h4c34cd2_2
- freetype=2.12.1=h4a9f257_0
- giflib=5.2.1=h5eee18b_3
- glib=2.56.2=hd408876_0
- icu=58.2=he6710b0_3
- intel-openmp=2022.1.0=h9e868ea_3769
- jpeg=9e=h5eee18b_1
- lcms2=2.12=h3be6417_0
- ld_impl_linux-64=2.38=h1181459_1
- lerc=3.0=h295c915_0
- libblas=3.9.0=16_linux64_mkl
- libboost=1.67.0=h46d08c1_4
- libcblas=3.9.0=16_linux64_mkl
- libdeflate=1.17=h5eee18b_1
- libffi=3.2.1=hf484d3e_1007
- libgcc-ng=13.2.0=h807b86a_2
- libgomp=13.2.0=h807b86a_2
- liblapack=3.9.0=16_linux64_mkl
- libpng=1.6.39=h5eee18b_0
- libstdcxx-ng=11.2.0=h1234567_1
- libtiff=4.5.1=h6a678d5_0
- libuuid=1.41.5=h5eee18b_0
- libwebp=1.2.4=h11a3e52_1
- libwebp-base=1.2.4=h5eee18b_1
- libxcb=1.15=h7f8727e_0
- libxml2=2.10.4=hcbfbd50_0
- lz4-c=1.9.4=h6a678d5_0
- mkl=2022.1.0=hc2b9512_224
- ncurses=6.1=he6710b0_1
- networkx=2.6.3=pyhd3eb1b0_0
- ninja=1.10.2=h06a4308_5
- ninja-base=1.10.2=hd09550d_5
- nomkl=2.0=0
- numexpr=2.8.0=py37h85a3170_102
- numpy=1.21.6=py37h976b520_0
- openssl=1.1.1w=h7f8727e_0
- packaging=23.2=pyhd8ed1ab_0
- pandas=1.3.5=py37h8c16a72_0
- pcre=8.45=h295c915_0
- pillow=9.4.0=py37h6a678d5_0
- pip=22.3.1=py37h06a4308_0
- pixman=0.40.0=h7f8727e_1
- plotly=5.17.0=pyhd8ed1ab_0
- py-boost=1.67.0=py37h04863e7_4
- python=3.7.6=cpython_h8356626_6
- python-dateutil=2.8.2=pyhd3eb1b0_0
- python_abi=3.7=2_cp37m
- pytorch=1.5.1=py3.7_cuda10.2.89_cudnn7.6.5_0
- pytz=2020.1=py_0
- rdkit=2019.03.4.0=py37hc20afe1_1
- readline=8.0=h7b6447c_0
- setuptools=65.6.3=py37h06a4308_0
- six=1.16.0=pyhd3eb1b0_1
- sqlite=3.40.1=h5082296_0
- tenacity=8.2.3=pyhd8ed1ab_0
- tk=8.6.12=h1ccaba5_0
- wheel=0.38.4=py37h06a4308_0
- xz=5.4.2=h5eee18b_0
- zlib=1.2.13=h5eee18b_0
- zstd=1.5.5=hc292b87_0
- pip:
- about-time==4.2.1
- aim==3.17.0
- aim-ui==3.17.0
- aimrecords==0.0.7
- aimrocks==0.4.0
- aiofiles==23.2.1
- alembic==1.12.0
- alive-progress==3.1.4
- anyio==3.7.1
- async-exit-stack==1.0.1
- async-generator==1.10
- autograd==1.6.2
- backoff==2.2.1
- base58==2.0.1
- cachetools==5.3.1
- cffi==1.15.1
- charset-normalizer==3.3.0
- click==8.1.7
- cma==3.2.2
- cryptography==41.0.4
- cycler==0.11.0
- deprecated==1.2.14
- dill==0.3.7
- exceptiongroup==1.1.3
- fastapi==0.103.2
- filelock==3.12.2
- fonttools==4.38.0
- future==0.18.3
- gitdb==4.0.10
- gitpython==3.1.37
- grapheme==0.6.0
- greenlet==3.0.0
- grpcio==1.59.0
- h11==0.14.0
- idna==3.4
- importlib-metadata==6.7.0
- importlib-resources==5.12.0
- jinja2==3.1.2
- kiwisolver==1.4.5
- mako==1.2.4
- markupsafe==2.1.3
- matplotlib==3.5.3
- monotonic==1.6
- protobuf==4.24.4
- psutil==5.9.6
- py3nvml==0.2.7
- pycparser==2.21
- pydantic==1.10.13
- pymoo==0.6.0
- pyparsing==3.1.1
- requests==2.31.0
- restrictedpython==6.2
- scipy==1.7.3
- segment-analytics-python==2.2.3
- smmap==5.0.1
- sniffio==1.3.0
- sqlalchemy==1.4.49
- starlette==0.27.0
- tqdm==4.66.1
- typing-extensions==4.7.1
- urllib3==2.0.6
- uvicorn==0.22.0
- wrapt==1.15.0
- xmltodict==0.13.0
- zipp==3.15.0
prefix: /home/mpds/python/generative-optim/venv-rdkit2019