When I wrote the article entitled A few thoughts on scientific software one of the responses I got was that people did not know about the existence
Day: 17 February 2023
When I wrote the article entitled A few thoughts on scientific software one of the responses I got was that people did not know about the existence
![](https://macinchem.org/wp-content/uploads/2023/02/image-16.png)
Here are two variations of a Jupyter Notebook to help with docking experiments. The first version runs locally and requires the user to install RDKit,