We read every piece of feedback, and take your input very seriously.
To see all available qualifiers, see our documentation.
Prevent this user from interacting with your repositories and sending you notifications. Learn more about blocking users.
You must be logged in to block users.
Contact GitHub support about this user’s behavior. Learn more about reporting abuse.
selection of scripts to run comqum-x/u and ad hydrogen atoms
Python
AHA - automatic hydrogen addition
Stuff regarding NMX
Jupyter Notebook