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bjornwallner
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DockQ
DockQ is a single continuous quality measure for Protein, Nucleic Acids and Small Molecule Docking Models
MIT License
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Get symmetry-corrected LRMSD for small molecules
#25
Closed
clami66
closed
4 months ago
clami66
commented
5 months ago
To do:
[x] Add hetatm support in mmCIF parsing
[x] Variable bond length to build graphs
[x] Fix mapping flags
[x] Handle multiple small molecules with identical names
[x] Printing results
[ ] Make it more friendly to use as library
[x] Add test
To do: