【计算化学与深度学习】浅谈deepchem的环境配置
0.前言
众所周知deepchem 是一个化学学科特化的深度学习框架。铸币的笔者配了一周环境,出现了各种各样的问题才最终解决,下面和大家分享一下我的解决办法
1.笔者的环境
笔者使用的环境配置如下:
- 操作系统:Ubuntu 24.04.01 LTS
- GPU: Nvidia RTX 3050Ti Laptop
- python = 3.7
- deepchem = 2.5.0
2.环境配置方法
2.1 虚拟环境的创建以及tensorflow的下载
我首先配置了tensorflow 和 pytorch 环境,具体方法参考了 知乎@对网名没有头绪 的文章
不踩坑:Ubuntu下安装TensorFlow的最简单方法(无需手动安装CUDA和cuDNN)
具体配置方法不再赘述,注意请大家自行安装Anaconda或者Miniconda,由于官网下载相应安装文件较慢,推荐大家搜索中科大镜像源下载安装文件
需要注意的是:文章中推荐安装python3.6版本,但是我在安装完成以后发现会出现TypeError
错误,经询问后尝试了python=3.7 解决了问题(推荐尝试python>=3.7, < 3.12)
关于pytorch的安装方法我直接使用conda安装
conda install pytorch
2.2 deepchem下载
根据官网文档建议可以直接使用
pip install deepchem
或者
conda install -c conda-forge deepchem
安装deepchem
如果出现 HTTPS ERROR
重新输入命令安装即可
3.从yaml文件配置deepchem开发环境
以下是笔者自己导出的deepchem开发环境,各位只需要根据自己anaconda3或者miniconda安装位置更改prefix
和 name
即可
导入环境命令如下:
conda env create -f filename.yaml
将下面内容粘贴保存至一个yaml文件中即可
name: deepchem
channels:
- https://mirrors.tuna.tsinghua.edu.cn/anaconda/pkgs/main
- https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/conda-forge
- defaults
- https://repo.anaconda.com/pkgs/main
- https://repo.anaconda.com/pkgs/r
dependencies:
- _anaconda_depends=2022.10=py37_2
- _libgcc_mutex=0.1=conda_forge
- _openmp_mutex=4.5=2_kmp_llvm
- _tflow_select=2.1.0=gpu
- abseil-cpp=20210324.2=h9c3ff4c_0
- absl-py=2.0.0=pyhd8ed1ab_0
- aiohttp=3.8.3=py37h5eee18b_0
- aiosignal=1.2.0=pyhd3eb1b0_0
- alabaster=0.7.13=pyhd8ed1ab_0
- alsa-lib=1.2.13=hb9d3cd8_0
- anaconda=custom=py37_1
- anaconda-client=1.11.3=pyhd8ed1ab_0
- anaconda-project=0.11.1=pyhd8ed1ab_0
- anyio=3.5.0=py37h06a4308_0
- appdirs=1.4.4=pyhd3eb1b0_0
- argh=0.31.0=pyhd8ed1ab_0
- argon2-cffi=21.3.0=pyhd3eb1b0_0
- argon2-cffi-bindings=21.2.0=py37h7f8727e_0
- asn1crypto=1.5.1=pyhd8ed1ab_0
- astor=0.8.1=pyh9f0ad1d_0
- astroid=2.14.2=py37h06a4308_0
- astropy=4.3.1=py37h09021b7_0
- astunparse=1.6.3=pyhd8ed1ab_2
- async-timeout=4.0.2=py37h06a4308_0
- async_generator=1.10=pyhd8ed1ab_1
- asynctest=0.13.0=py_0
- atomicwrites=1.4.1=pyhd8ed1ab_0
- attrs=22.2.0=pyh71513ae_0
- automat=20.2.0=py_0
- autopep8=2.0.2=pyhd8ed1ab_0
- babel=2.11.0=pyhd8ed1ab_0
- backcall=0.2.0=pyh9f0ad1d_0
- backports=1.0=pyhd8ed1ab_4
- backports.functools_lru_cache=2.0.0=pyhd8ed1ab_0
- backports.shutil_get_terminal_size=1.0.0=py_3
- bcrypt=3.2.0=py37h5eee18b_1
- beautifulsoup4=4.12.3=pyha770c72_0
- bitarray=2.5.1=py37h5eee18b_0
- bkcharts=0.2=py37h06a4308_1
- blas=1.0=openblas
- blas-devel=3.9.0=26_linux64_openblas
- bleach=6.1.0=pyhd8ed1ab_0
- blinker=1.5=pyhd8ed1ab_0
- blosc=1.21.5=h0f2a231_0
- bokeh=2.4.3=py37h06a4308_0
- boost=1.78.0=py37h48bf904_0
- boost-cpp=1.78.0=h2c5509c_4
- boto=2.49.0=py_0
- boto3=1.24.28=py37h06a4308_0
- botocore=1.27.59=py37h06a4308_0
- bottleneck=1.3.5=py37h7deecbd_0
- brotli=1.0.9=h5eee18b_9
- brotli-bin=1.0.9=h5eee18b_9
- brotlipy=0.7.0=py37h27cfd23_1003
- bzip2=1.0.8=h4bc722e_7
- c-ares=1.34.4=hb9d3cd8_0
- ca-certificates=2025.1.31=hbcca054_0
- cachetools=4.2.4=pyhd8ed1ab_0
- cairo=1.16.0=hb05425b_5
- certifi=2022.12.7=py37h06a4308_0
- cffi=1.15.1=py37h5eee18b_3
- chardet=4.0.0=py37h06a4308_1003
- charset-normalizer=2.1.1=pyhd8ed1ab_0
- click=8.0.4=py37h06a4308_0
- cloudpickle=2.2.1=pyhd8ed1ab_0
- clyent=1.2.2=py_1
- colorama=0.4.5=pyhd8ed1ab_0
- colorcet=3.0.1=py37h06a4308_0
- conda-pack=0.7.0=pyh6c4a22f_0
- conda-package-handling=2.0.2=py37h06a4308_0
- conda-package-streaming=0.7.0=py37h06a4308_0
- constantly=15.1.0=pyh2b92418_0
- contextlib2=21.6.0=pyhd8ed1ab_0
- cryptography=39.0.1=py37h9ce1e76_0
- cssselect=1.1.0=pyhd3eb1b0_0
- cudatoolkit=10.1.243=h6d9799a_13
- cudnn=7.6.5.32=hc0a50b0_1
- cupti=10.1.168=0
- curl=7.87.0=h6312ad2_0
- cycler=0.11.0=pyhd8ed1ab_0
- cyrus-sasl=2.1.28=h9c0eb46_1
- cython=0.29.33=py37h6a678d5_0
- cytoolz=0.12.0=py37h5eee18b_0
- daal4py=2021.6.0=py37h79cecc1_1
- dal=2021.6.0=hdb19cb5_916
- dask=2021.3.0=pyhd8ed1ab_0
- dask-core=2021.3.0=pyhd8ed1ab_0
- dataclasses=0.8=pyh6d0b6a4_7
- datashader=0.14.4=py37h06a4308_0
- datashape=0.5.4=py37h06a4308_1
- dbus=1.13.18=hb2f20db_0
- decorator=5.1.1=pyhd8ed1ab_0
- deepchem=2.5.0=pyhd8ed1ab_0
- defusedxml=0.7.1=pyhd8ed1ab_0
- diff-match-patch=20200713=pyh9f0ad1d_0
- dill=0.3.6=py37h06a4308_0
- distributed=2021.4.1=py37h06a4308_0
- docutils=0.18.1=py37h06a4308_3
- entrypoints=0.4=pyhd8ed1ab_0
- et_xmlfile=1.1.0=pyhd8ed1ab_0
- expat=2.6.4=h5888daf_0
- fastcache=1.1.0=py37h7b6447c_0
- fftw=3.3.9=h5eee18b_2
- filelock=3.4.1=pyhd8ed1ab_0
- flake8=5.0.4=pyhd8ed1ab_0
- flask=2.0.3=pyhd8ed1ab_0
- font-ttf-dejavu-sans-mono=2.37=hab24e00_0
- font-ttf-inconsolata=3.000=h77eed37_0
- font-ttf-source-code-pro=2.038=h77eed37_0
- font-ttf-ubuntu=0.83=h77eed37_3
- fontconfig=2.14.2=h14ed4e7_0
- fonts-conda-ecosystem=1=0
- fonts-conda-forge=1=0
- fonttools=4.25.0=pyhd3eb1b0_0
- freetype=2.12.1=h267a509_2
- fribidi=1.0.10=h36c2ea0_0
- frozenlist=1.3.3=py37h5eee18b_0
- fsspec=2023.1.0=pyhd8ed1ab_0
- future=0.18.3=py37h06a4308_0
- gast=0.3.3=py_0
- gensim=4.1.2=py37h295c915_0
- get_terminal_size=1.0.0=haa9412d_0
- gevent=22.10.2=py37h5eee18b_0
- giflib=5.2.2=hd590300_0
- glib=2.80.2=hf974151_0
- glib-tools=2.80.2=hb6ce0ca_0
- glob2=0.7=py_0
- gmp=6.3.0=hac33072_2
- gmpy2=2.1.2=py37heeb90bb_0
- google-auth=1.35.0=pyh6c4a22f_0
- google-auth-oauthlib=0.4.6=pyhd8ed1ab_0
- google-pasta=0.2.0=pyh8c360ce_0
- graphite2=1.3.14=h295c915_1
- greenlet=2.0.1=py37h6a678d5_0
- grpc-cpp=1.45.2=hd8f4eba_3
- grpcio=1.42.0=py37hce63b2e_0
- gst-plugins-base=1.14.1=h6a678d5_1
- gstreamer=1.14.1=h5eee18b_1
- h5py=2.10.0=py37hd6299e0_1
- harfbuzz=10.2.0=hf296adc_0
- hdf5=1.10.6=nompi_h6a2412b_1114
- heapdict=1.0.1=py_0
- holoviews=1.15.4=py37h06a4308_0
- html5lib=1.1=pyh9f0ad1d_0
- hvplot=0.8.2=py37h06a4308_0
- hyperlink=21.0.0=pyhd3eb1b0_0
- icu=73.2=h59595ed_0
- idna=3.10=pyhd8ed1ab_0
- idna_ssl=1.1.0=pyhd8ed1ab_1002
- imagecodecs-lite=2019.12.3=py37hc105733_5
- imageio=2.36.0=pyh12aca89_1
- imagesize=1.4.1=pyhd8ed1ab_0
- immutables=0.16=py37h7f8727e_1
- importlib-metadata=4.11.3=py37h06a4308_0
- importlib_metadata=4.11.3=hd3eb1b0_0
- incremental=22.10.0=pyhd3eb1b0_0
- iniconfig=1.1.1=pyh9f0ad1d_0
- intake=0.6.6=py37h06a4308_0
- intel-openmp=2023.1.0=hdb19cb5_46306
- intervaltree=3.1.0=pyhd8ed1ab_1
- ipykernel=5.3.4=py37h5ca1d4c_0
- ipython=7.22.0=py37hb070fc8_0
- ipython_genutils=0.2.0=pyhd8ed1ab_1
- ipywidgets=7.7.4=pyhd8ed1ab_0
- isort=5.10.1=pyhd8ed1ab_0
- itemadapter=0.3.0=pyhd3eb1b0_0
- itemloaders=1.0.4=pyhd3eb1b0_1
- itsdangerous=2.0.1=pyhd8ed1ab_0
- jbig=2.1=h7f98852_2003
- jdcal=1.4.1=py_0
- jedi=0.15.2=py37_0
- jeepney=0.7.1=pyhd8ed1ab_0
- jinja2=3.0.3=pyhd8ed1ab_0
- jmespath=0.10.0=pyhd3eb1b0_0
- joblib=1.2.0=pyhd8ed1ab_0
- jpeg=9e=h0b41bf4_3
- jq=1.7.1=h5eee18b_0
- json-rpc=1.12.2=py_0
- json5=0.9.5=pyh9f0ad1d_0
- jsonschema=4.1.2=pyhd8ed1ab_0
- jupyter=1.0.0=pyhd8ed1ab_10
- jupyter_client=7.1.2=pyhd8ed1ab_0
- jupyter_console=6.5.1=pyhd8ed1ab_0
- jupyter_core=4.11.2=py37h06a4308_0
- jupyter_server=1.13.2=pyhd8ed1ab_0
- jupyterlab=3.3.4=pyhd8ed1ab_0
- jupyterlab_pygments=0.1.2=pyh9f0ad1d_0
- jupyterlab_server=2.10.3=pyhd8ed1ab_0
- jupyterlab_widgets=1.1.1=pyhd8ed1ab_0
- keras-preprocessing=1.1.2=pyhd8ed1ab_0
- keyring=23.4.0=py37h06a4308_0
- keyutils=1.6.1=h166bdaf_0
- kiwisolver=1.4.4=py37h6a678d5_0
- krb5=1.20.1=hf9c8cef_0
- lazy-object-proxy=1.6.0=py37h27cfd23_0
- lcms2=2.12=hddcbb42_0
- ld_impl_linux-64=2.43=h712a8e2_2
- lerc=3.0=h9c3ff4c_0
- libarchive=3.5.2=hccf745f_1
- libblas=3.9.0=26_linux64_openblas
- libbrotlicommon=1.0.9=h5eee18b_9
- libbrotlidec=1.0.9=h5eee18b_9
- libbrotlienc=1.0.9=h5eee18b_9
- libcblas=3.9.0=26_linux64_openblas
- libclang=14.0.6=default_hc6dbbc7_2
- libclang13=14.0.6=default_he11475f_2
- libcups=2.4.2=ha637b67_0
- libcurl=7.87.0=h6312ad2_0
- libdeflate=1.10=h7f98852_0
- libedit=3.1.20250104=pl5321h7949ede_0
- libev=4.33=hd590300_2
- libevent=2.1.12=h8f2d780_0
- libexpat=2.6.4=h5888daf_0
- libffi=3.4.2=h7f98852_5
- libgcc=14.2.0=h77fa898_1
- libgcc-ng=14.2.0=h69a702a_1
- libgfortran-ng=7.5.0=h14aa051_20
- libgfortran4=7.5.0=h14aa051_20
- libgfortran5=14.2.0=hd5240d6_1
- libglib=2.80.2=hf974151_0
- libgomp=14.2.0=h77fa898_1
- libiconv=1.17=hd590300_2
- libidn2=2.3.4=h5eee18b_0
- liblapack=3.9.0=26_linux64_openblas
- liblapacke=3.9.0=26_linux64_openblas
- liblief=0.11.5=h9c3ff4c_0
- libllvm10=10.0.1=he513fc3_3
- libllvm11=11.1.0=h9e868ea_6
- libllvm14=14.0.6=hecde1de_4
- libllvm9=9.0.1=default_hc23dcda_7
- liblzma=5.6.4=hb9d3cd8_0
- liblzma-devel=5.6.4=hb9d3cd8_0
- libnghttp2=1.51.0=hdcd2b5c_0
- libnsl=2.0.1=hd590300_0
- libogg=1.3.5=h4ab18f5_0
- libopenblas=0.3.28=pthreads_h94d23a6_0
- libopus=1.3.1=h7f98852_1
- libpng=1.6.43=h2797004_0
- libpq=12.15=h37d81fd_1
- libprotobuf=3.20.3=he621ea3_0
- libsodium=1.0.18=h36c2ea0_1
- libspatialindex=2.1.0=he57a185_0
- libsqlite=3.46.0=hde9e2c9_0
- libssh2=1.10.0=haa6b8db_3
- libstdcxx=14.2.0=hc0a3c3a_1
- libstdcxx-ng=14.2.0=h4852527_1
- libtiff=4.3.0=h0fcbabc_4
- libtool=2.4.7=he02047a_1
- libunistring=0.9.10=h27cfd23_0
- libuuid=2.38.1=h0b41bf4_0
- libuv=1.50.0=hb9d3cd8_0
- libvorbis=1.3.7=h9c3ff4c_0
- libwebp=1.2.4=h11a3e52_1
- libwebp-base=1.2.4=h5eee18b_1
- libxcb=1.15=h0b41bf4_0
- libxkbcommon=1.0.1=h097e994_2
- libxml2=2.13.5=hfdd30dd_0
- libxslt=1.1.41=h097e994_0
- libzlib=1.2.13=h4ab18f5_6
- llvm-openmp=19.1.7=h024ca30_0
- llvmlite=0.38.0=py37h4ff587b_0
- locket=1.0.0=pyhd8ed1ab_0
- lxml=4.9.1=py37h540881e_0
- lz4-c=1.9.3=h9c3ff4c_1
- lzo=2.10=hd590300_1001
- markdown=3.6=pyhd8ed1ab_0
- markupsafe=2.1.1=py37h7f8727e_0
- matplotlib=3.5.3=py37h06a4308_0
- matplotlib-base=3.5.3=py37hf590b9c_0
- mccabe=0.7.0=pyhd8ed1ab_0
- mistune=0.8.4=pyh1a96a4e_1006
- mkl=2020.4=h726a3e6_304
- mkl-devel=2020.4=ha770c72_305
- mkl-include=2020.4=h726a3e6_304
- mkl-service=2.3.0=py37he8ac12f_0
- mkl_fft=1.3.0=py37h902c9e0_1
- mkl_random=1.2.0=py37h9fdb41a_1
- mock=5.1.0=pyhd8ed1ab_0
- more-itertools=10.0.0=pyhd8ed1ab_0
- mpc=1.3.1=h24ddda3_1
- mpfr=4.2.1=h90cbb55_3
- mpi=1.0=mpich
- mpich=3.3.2=hc856adb_0
- mpmath=1.3.0=pyhd8ed1ab_0
- msgpack-python=1.0.3=py37hd09550d_0
- multidict=6.0.2=py37h5eee18b_0
- multipledispatch=0.6.0=pyhd8ed1ab_1
- munkres=1.1.4=py_0
- mysql=5.7.24=he378463_2
- nbclassic=0.3.5=pyhd8ed1ab_0
- nbclient=0.5.9=pyhd8ed1ab_0
- nbconvert=6.5.4=py37h06a4308_0
- nbformat=5.1.3=pyhd8ed1ab_0
- ncurses=6.5=h2d0b736_3
- nest-asyncio=1.6.0=pyhd8ed1ab_0
- networkx=2.7=pyhd8ed1ab_0
- ninja=1.12.1=h297d8ca_0
- nltk=3.6.7=pyhd8ed1ab_0
- nose=1.3.7=py_1006
- notebook=6.4.12=py37h06a4308_0
- nspr=4.35=h6a678d5_0
- nss=3.89.1=h6a678d5_0
- numba=0.55.1=py37h51133e4_0
- numexpr=2.8.4=py37hd2a5715_0
- numpy=1.21.5=py37hf838250_3
- numpy-base=1.21.5=py37h1e6e340_3
- numpydoc=1.2.1=pyhd8ed1ab_0
- oauthlib=3.2.2=pyhd8ed1ab_0
- olefile=0.46=pyh9f0ad1d_1
- oniguruma=6.9.7.1=h27cfd23_0
- openblas=0.3.28=pthreads_h6ec200e_0
- openjpeg=2.5.0=h7d73246_0
- openpyxl=3.0.9=pyhd8ed1ab_0
- openssl=1.1.1w=h7f8727e_0
- opt_einsum=3.3.0=pyhc1e730c_2
- packaging=21.3=pyhd8ed1ab_0
- pandas=1.3.5=py37h8c16a72_0
- pandoc=2.19.2=h32600fe_2
- pandocfilters=1.5.0=pyhd8ed1ab_0
- panel=0.14.3=py37h06a4308_0
- pango=1.50.7=h0fee60c_1
- param=1.12.3=py37h06a4308_0
- parsel=1.6.0=py37h06a4308_0
- parso=0.8.4=pyhd8ed1ab_0
- partd=1.2.0=pyhd8ed1ab_0
- patchelf=0.17.2=h58526e2_0
- path=16.2.0=pyhd3eb1b0_0
- path.py=12.5.0=0
- pathlib2=2.3.6=py37h06a4308_2
- pathtools=0.1.2=py_1
- patsy=0.5.6=pyhd8ed1ab_0
- pcre=8.45=h9c3ff4c_0
- pcre2=10.43=hcad00b1_0
- pep8=1.7.1=py_0
- pexpect=4.8.0=pyh1a96a4e_2
- pickleshare=0.7.5=py_1003
- pillow=9.4.0=py37h6a678d5_0
- pip=21.3.1=pyhd8ed1ab_0
- pixman=0.44.2=h29eaf8c_0
- pkginfo=1.9.6=pyhd8ed1ab_0
- platformdirs=2.5.2=py37h06a4308_0
- plotly=5.9.0=py37h06a4308_0
- pluggy=1.0.0=py37h06a4308_1
- ply=3.11=pyhd8ed1ab_2
- prometheus_client=0.17.1=pyhd8ed1ab_0
- prompt-toolkit=3.0.36=pyha770c72_0
- prompt_toolkit=3.0.36=hd8ed1ab_0
- protego=0.1.16=py_0
- protobuf=3.20.3=py37h6a678d5_0
- psutil=5.9.0=py37h5eee18b_0
- pthread-stubs=0.4=hb9d3cd8_1002
- ptyprocess=0.7.0=pyhd3deb0d_0
- py=1.11.0=pyh6c4a22f_0
- py-lief=0.11.5=py37hcd2ae1e_0
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- pyasn1-modules=0.3.0=pyhd8ed1ab_0
- pycairo=1.21.0=py37h287db57_0
- pycodestyle=2.9.1=pyhd8ed1ab_0
- pycosat=0.6.4=py37h5eee18b_0
- pycparser=2.21=pyhd8ed1ab_0
- pycrypto=2.6.1=py37h7b6447c_10
- pyct=0.5.0=py37h06a4308_0
- pycurl=7.45.1=py37h8f2d780_0
- pydispatcher=2.0.5=py37h06a4308_2
- pydocstyle=6.2.0=pyhd8ed1ab_0
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- pyflakes=2.5.0=pyhd8ed1ab_0
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- pyjwt=2.8.0=pyhd8ed1ab_0
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- pyodbc=4.0.34=py37h6a678d5_0
- pyopenssl=23.0.0=py37h06a4308_0
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- pyqt=5.15.4=py37hd23a5d3_0
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- pyrsistent=0.18.0=py37heee7806_0
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- pytest=7.1.2=py37h06a4308_0
- python=3.7.16=h7a1cb2a_0
- python-dateutil=2.8.2=pyhd8ed1ab_0
- python-flatbuffers=1.12=pyhd8ed1ab_1
- python-jsonrpc-server=0.3.4=py_1
- python-language-server=0.31.9=py37_0
- python-libarchive-c=5.1=pyhd3eb1b0_0
- python-snappy=0.6.1=py37h6a678d5_0
- python_abi=3.7=2_cp37m
- pytorch=1.12.1=cpu_py37h9dbd814_1
- pytz=2023.3.post1=pyhd8ed1ab_0
- pyu2f=0.1.5=pyhd8ed1ab_0
- pyviz_comms=2.0.2=pyhd3eb1b0_0
- pywavelets=1.3.0=py37h7f8727e_0
- pyxdg=0.28=pyhd8ed1ab_0
- pyyaml=6.0=py37h5eee18b_1
- pyzmq=23.2.0=py37h6a678d5_0
- qdarkstyle=3.1=pyhd8ed1ab_0
- qt=5.15.9=h06a4308_0
- qt-main=5.15.2=h110a718_10
- qt-webengine=5.15.9=he2071f7_8
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- re2=2022.04.01=h295c915_0
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- regex=2022.7.9=py37h5eee18b_0
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- requests-oauthlib=2.0.0=pyhd8ed1ab_0
- requests-toolbelt=1.0.0=pyhd8ed1ab_0
- ripgrep=14.1.1=h8fae777_0
- rope=1.1.1=pyhd8ed1ab_0
- rsa=4.9=pyhd8ed1ab_0
- rtree=0.8.3=py37_0
- ruamel.yaml.clib=0.2.6=py37h5eee18b_1
- ruamel_yaml=0.17.21=py37h5eee18b_0
- s3transfer=0.6.0=py37h06a4308_0
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- scipy=1.7.3=py37hf838250_2
- scrapy=2.6.2=py37h06a4308_0
- seaborn=0.11.2=hd8ed1ab_0
- seaborn-base=0.11.2=pyhd8ed1ab_0
- secretstorage=3.3.1=py37h06a4308_0
- send2trash=1.8.2=pyh41d4057_0
- service_identity=18.1.0=pyhd3eb1b0_1
- setuptools=58.0.4=py37h06a4308_0
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- sip=6.5.1=py37h295c915_0
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- snowballstemmer=2.2.0=pyhd8ed1ab_0
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- soupsieve=2.3.2.post1=pyhd8ed1ab_0
- sphinx=5.1.1=pyh6c4a22f_0
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- sphinxcontrib-devhelp=1.0.2=py_0
- sphinxcontrib-htmlhelp=2.0.1=pyhd8ed1ab_0
- sphinxcontrib-jsmath=1.0.1=pyhd8ed1ab_0
- sphinxcontrib-qthelp=1.0.3=py_0
- sphinxcontrib-serializinghtml=1.1.5=pyhd8ed1ab_2
- sphinxcontrib-websupport=1.2.4=pyhd8ed1ab_1
- spyder=3.3.6=py37_0
- spyder-kernels=0.5.2=py37_0
- sqlalchemy=1.4.39=py37h5eee18b_0
- sqlite=3.46.0=h6d4b2fc_0
- statsmodels=0.13.5=py37h7deecbd_1
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- tbb=2021.7.0=h924138e_0
- tbb4py=2021.7.0=py37hdb19cb5_0
- tblib=1.7.0=pyhd8ed1ab_0
- tenacity=8.0.1=py37h06a4308_1
- tensorboard=2.4.1=pyhd8ed1ab_1
- tensorboard-plugin-wit=1.8.1=pyhd8ed1ab_0
- tensorflow=2.2.0=gpu_py37h1a511ff_0
- tensorflow-base=2.2.0=gpu_py37h8a81be8_0
- tensorflow-estimator=2.4.0=pyh9656e83_0
- tensorflow-gpu=2.2.0=h0d30ee6_0
- termcolor=1.1.0=pyhd8ed1ab_3
- terminado=0.17.1=py37h06a4308_0
- testpath=0.6.0=pyhd8ed1ab_0
- threadpoolctl=3.1.0=pyh8a188c0_0
- tifffile=2020.6.3=py_0
- tinycss2=1.2.1=py37h06a4308_0
- tk=8.6.13=noxft_h4845f30_101
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- watchdog=2.1.6=py37h06a4308_0
- wcwidth=0.2.10=pyhd8ed1ab_0
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- websocket-client=1.3.1=pyhd8ed1ab_0
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- widgetsnbextension=3.6.1=pyha770c72_0
- wrapt=1.14.1=py37h5eee18b_0
- wurlitzer=3.1.1=pyhd8ed1ab_0
- xarray=0.20.1=pyhd3eb1b0_1
- xlrd=2.0.1=pyhd8ed1ab_3
- xlsxwriter=3.2.0=pyhd8ed1ab_0
- xlwt=1.3.0=py_1
- xorg-kbproto=1.0.7=hb9d3cd8_1003
- xorg-libice=1.1.2=hb9d3cd8_0
- xorg-libsm=1.2.5=he73a12e_0
- xorg-libx11=1.8.9=h8ee46fc_0
- xorg-libxau=1.0.12=hb9d3cd8_0
- xorg-libxdmcp=1.1.5=hb9d3cd8_0
- xorg-libxext=1.3.4=h0b41bf4_2
- xorg-libxrender=0.9.11=hd590300_0
- xorg-renderproto=0.11.1=hb9d3cd8_1003
- xorg-xextproto=7.3.0=hb9d3cd8_1004
- xorg-xproto=7.0.31=hb9d3cd8_1008
- xz=5.6.4=hbcc6ac9_0
- xz-gpl-tools=5.6.4=hbcc6ac9_0
- xz-tools=5.6.4=hb9d3cd8_0
- yaml=0.2.5=h7f98852_2
- yapf=0.33.0=pyhd8ed1ab_0
- yarl=1.8.1=py37h5eee18b_0
- zeromq=4.3.5=h59595ed_1
- zict=2.0.0=py_0
- zipp=3.6.0=pyhd8ed1ab_0
- zlib=1.2.13=h4ab18f5_6
- zope=1.0=py37_1
- zope.event=4.6=pyhd8ed1ab_0
- zope.interface=5.4.0=py37h7f8727e_0
- zstandard=0.19.0=py37h5eee18b_0
- zstd=1.5.6=ha6fb4c9_0
prefix: /home/youyan/anaconda3/envs/deepchem
本文作者:
本文链接:https://www.cnblogs.com/UssEnterprise/p/18711943
版权声明:本作品采用知识共享署名-非商业性使用-禁止演绎 2.5 中国大陆许可协议进行许可。
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