源码安装deepchem

先下载安装

git clone https://github.com/deepchem/deepchem.git      # Clone deepchem source code from GitHub
cd deepchem

gpu=1 bash scripts/install_deepchem_conda.sh deepchem         # If you want GPU support

source activate deepchem
python setup.py install                                # Manual install
nosetests -a '!slow' -v deepchem --nologcapture        # Run tests

测试能通过才怪

问题① tensorflow

没装tensorflow就:

pip install tensorflow-gpu==1.13.1

装完后如果import tensorflow 的时候报错 ImportError: libcublas.so.10.0: cannot open shared object file: No such file or directory

证明cuda不是10.0

1.13.1的tf只认10.0

不管以前的cuda是什么版本, 再装一个10.0

然后三个选择

1.设置软连接

sudo ln -s /usr/local/cuda-10.0 usr/local/cuda

以后用什么版本就连什么版本 

搞不定的话参考