Add structure-based object model based on MDAnalysis to replace PDB artifacts

openkinome / kinoml

Structure-informed machine learning for kinase modeling

https://openkinome.org/kinoml/

MIT License

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Closed schallerdavid closed 3 years ago

schallerdavid commented 3 years ago

Add structure-based object model based on MDAnalysis to replace PDB artifacts.

IAlibay commented 3 years ago

serialzation of mda.Universe currently only available in unstable release

It's out now :)