chemistry

Describe the problem
PROTACs are a class of therapeutics that flag target proteins to a cell's waste disposal system, instead of the traditional binding to targets. It has been very promising due to its ability to tackle undruggable targets. However, problems still exist, such as designing the PROTACs, measure the degradability, understand the mechanism. A recent paper https://www.biorxiv.org

Bug Description

There is a wrong input at Example Input Files at RMG User's Guide (https://react

Right now, the GitHub builds for Windows are slow:

• it doesn't cache the third party or downloaded dependencies
• it doesn't use ninja so builds only use one (of two) cores

The GitHub action is at https://github.com/OpenChemistry/avogadrolibs/blob/master/.github/workflows/build_cmake.yml

If someone can work with Windows builds, I can help translate commands / scripts into the Gi