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MobleyLab / Lomap

Alchemical mutation scoring map
MIT License
37 stars 17 forks source link

Add a fast graphing option #32

Closed shuail closed 6 years ago

shuail commented 6 years ago

For a dataset with ~1000 ligand, the graphing minimization algorithm will take long time to finish since the initial graph contains large amount of connections. It will be good to have an option to grow the graph from a least connected graph to a larger graph.

shuail commented 6 years ago

This is implemented for the radial type of graph by #28