如何使用pip安装来自Conda的rdk​​it软件包? [英] How to install a package rdkit from Conda with pip?

问题描述

我正在尝试使用pip3安装rdkit.但这是行不通的.

I am trying to install rdkit using pip3. But it doesn't work.

sudo pip3 install rdkit
Error:  Could not find a version that satisfies the requirement rdkit (from versions: )
No matching distribution found for rdkit

conda显然只有一种选择

There is only apparently one option with conda

conda install -c rdkit rdkit

如何使用pip安装它?谢谢

How can I install it with pip? Thanks

推荐答案

您目前无法通过pip安装rdkit，无论是从源代码构建还是使用anaconda作为 github问题

You cannot install rdkit with pip at the moment, either build from source or install using anaconda as recommended. Making rdkit installable with pip is tricky, see github issue

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