如何使用 anaconda 安装 rdkit

Question

I'm trying to install rdkit with

conda create -c rdkit -n my-rdkit-env rdkit

but when it's Downloading and Extracting Packages it's stopping? what should I do? I tried every command I found on the inte.net and none of them work!

Answer 1

conda install rdkit -c rdkit

If this doesn't work, then something is wrong with your anaconda installation.

Answer 2

I wasn't able to install RDKit from conda's default channel as suggested by @MichalK's answer. Instead, I had to install from conda's conda-forge channel:

conda install -c conda-forge rdkit

Another advantage of using the conda-forge channel is that it has more recent version (v2022.09.4 for linux-64) of RDKit than the default channel (v2020.09.1.0 for linux-64).

conda version: 4.13.0