Added a new class for virtual screening. Also, added a constructor to the pharmacophore class so it can be created from a file with any valid extension.
Todos
Virtual screening class still needs a lot of work
Create functions to load and save pharmacophores to all required file formats
codecov-commenter
commented
3 years ago
Description
Added a new class for virtual screening. Also, added a constructor to the pharmacophore class so it can be created from a file with any valid extension.
Todos