spyrmsd: symmetry-corrected RMSD calculations in Python.
Rocco MeliPhilip C. BigginPublished in: J. Cheminformatics (2020)
Keyphrases
- open source
- symmetry detection
- programming language
- open source software
- root mean square
- graphical user interface
- general purpose
- development tools
- programming tool
- scripting language
- object oriented programming
- object oriented
- user interface
- case study
- software engineering
- multi agent
- similarity measure
- real world
- neural network