1. 安装Anaconda (装过的就别装了)
2. 配置GPU环境 (配过的就别配了)
3. 配置deepchem环境
在 conda base 环境中,创建 rdkit 环境,并取名为 deepchem
(base) zdx@n104:~$ conda create -c rdkit -n deepchem rdkit
进入 deepchem 环境
(base) zdx@n104:~$ conda activate deepchem
成功进入 deepchem 环境
(deepchem) zdx@n104:~$
安装 tensorflow-gpu 2.3
(deepchem) zdx@n104:~$ pip install tensorflow-gpu==2.3
安装 deepchem 库
(deepchem) zdx@n104:~$ conda install -c conda-forge deepchem
测试 deepchem 库是否安装成功:
(deepchem) zdx@n104:~$ python
Python 3.7.9 (default, Aug 31 2020, 12:42:55)
[GCC 7.3.0] :: Anaconda, Inc. on linux
Type "help", "copyright", "credits" or "license" for more information.
>>> import deepchem
2021-01-29 10:56:30.196036: I tensorflow/stream_executor/platform/default/dso_loader.cc:48] Successfully opened dynamic library libcudart.so.10.1
>>>
>>> import rdkit
>>>