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29 Open 96 Closed
29 Open 96 Closed
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Issues list

Breaks with networkx 3.4
#166 opened Nov 19, 2024 by johannbrehmer
1
SBU's mapping_to_original_indices
#165 opened Mar 9, 2023 by vthost
ABAMOI.cif fails fragmentation
#164 opened Dec 24, 2022 by kjappelbaum
implement point of extension method for clustering
#163 opened Dec 21, 2022 by kjappelbaum
fragmentation fails for TONTIB_clean.cif
#155 opened Nov 14, 2022 by kjappelbaum
give reassemble in net option
#154 opened Nov 12, 2022 by kjappelbaum
@kjappelbaum
fix net for small unit cells bug Something isn't working
#153 opened Nov 7, 2022 by kjappelbaum
@kjappelbaum
1
do not classify the formate in WIHSUD as bound solvent.
#143 opened Nov 1, 2022 by kjappelbaum
2
add terminal atoms to linker
#142 opened Nov 1, 2022 by kjappelbaum
1
MIJMAU_clean.ciffails wontfix This will not be worked on
#141 opened Nov 1, 2022 by kjappelbaum
RSM3415.cif no path in node cluster location wontfix This will not be worked on
#140 opened Nov 1, 2022 by kjappelbaum
1
Wishlist/ideas for rewrite (major refactoring)
#137 opened Nov 1, 2022 by kjappelbaum
make some of the protected attributes private
#132 opened Oct 29, 2022 by kjappelbaum
write fragments into pormake input format
#130 opened Oct 18, 2022 by kjappelbaum
7
LIVREP is incorrectly sql
#126 opened Oct 2, 2022 by kjappelbaum
2
no RCSR code for ASUKEE01
#121 opened Sep 29, 2022 by kjappelbaum
rename sbu to bu
#118 opened Aug 30, 2022 by kjappelbaum
Look deeper in failing LASYOU bug Something isn't working net
#116 opened Aug 29, 2022 by kjappelbaum v0.0.2
3
current Net implementation does not work if branching index is used via multiple images
#106 opened Jul 27, 2022 by kjappelbaum
3
In docs explain the capping molecules blocking
#105 opened Jul 27, 2022 by kjappelbaum
add option to exclude all atoms we assigned to a linker from the node blocking
#103 opened Jul 24, 2022 by kjappelbaum
1
make net also work for "MOFs" without linker enhancement New feature or request
#100 opened Jul 22, 2022 by kjappelbaum v0.0.2
@kjappelbaum
3
issue for the failing nets for single metal
#92 opened Jul 21, 2022 by kjappelbaum
@kjappelbaum
12
get structures with dummy atoms for the fragments blocking
#88 opened Jul 21, 2022 by kjappelbaum
2 tasks
properly fix the __mul__ bug in the StructureGraph bug Something isn't working help wanted Extra attention is needed
#86 opened Jul 20, 2022 by kjappelbaum
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