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10 Open 3 Closed
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Issues list

Implement structuregraphs using rustworkx or graphtool
#14 opened Nov 1, 2022 by kjappelbaum
make substructure to hash customizable
#13 opened Oct 26, 2022 by kjappelbaum
use systre key
#12 opened Oct 18, 2022 by kjappelbaum
get "primitive" of structuregraph
#11 opened Aug 10, 2022 by kjappelbaum
add option to get primitive in hash CLI enhancement New feature or request
#10 opened Aug 3, 2022 by kjappelbaum
fix docs lint issues documentation Improvements or additions to documentation
#9 opened Aug 2, 2022 by kjappelbaum
use voltage instead of to_jimage as edge attribute in hashing
#4 opened Jul 28, 2022 by kjappelbaum
2
Add to conda-forge
#3 opened Jul 28, 2022 by kjappelbaum
1
optimize get_subgraphs_as_molecules enhancement New feature or request
#15 opened Sep 6, 2021 by kjappelbaum
1
read bonding network from cif file
#5 opened Jun 16, 2021 by kjappelbaum
1
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