新機器配置 Anaconda 首先更換國內源，根據清華大學開源軟體映象站中說明，修改~/.condarc檔案，使用下面配置：

channels:
  - defaults
show_channel_urls: true
default_channels:
  - https://mirrors.tuna.tsinghua.edu.cn/anaconda/pkgs/main
  - https://mirrors.tuna.tsinghua.edu.cn/anaconda/pkgs/r
  - https://mirrors.tuna.tsinghua.edu.cn/anaconda/pkgs/msys2
custom_channels:
  conda-forge: https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud
  msys2: https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud
  bioconda: https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud
  menpo: https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud
  pytorch: https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud
  pytorch-lts: https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud
  simpleitk: https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud
 

非常簡單地就將 conda 改成了清華源。

接下來美滋滋地建立新環境安裝化學資訊學必備的 RDKit conda create -c conda-forge -n rdkit rdkit，運行了一會兒，沒想到扔出了 CondaHTTPError。

(base) chloe@ChloedeMacBook-Pro ~ % conda create -c conda-forge -n rdkit rdkit
Collecting package metadata (current_repodata.json): failed

CondaHTTPError: HTTP 000 CONNECTION FAILED for url <https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/conda-forge/noarch/current_repodata.json>
Elapsed: -

An HTTP error occurred when trying to retrieve this URL.
HTTP errors are often intermittent, and a simple retry will get you on your way.
'https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/conda-forge/noarch'
 

查閱 Anaconda 文件中關於 HTTP 000 CONNECTION FAILED 的說明，取消 SSL 驗證即可：

conda config --set ssl_verify false