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Add a new cluster:

Status: Open.

#539 In lukasturcani/stk;

· andrewtarzia opened on Jun 24, 2025

How to handle changes in rdkit ETKDG algorithm in latest versions, that slightly change stk output?

Status: Open.

#538 In lukasturcani/stk;

· andrewtarzia opened on Mar 1, 2025

New rdkit smiles notation for metal-centre stereochemistry could be useful for building block preparation

enhancementNew feature or requestNew feature or request

Status: Open.

#533 In lukasturcani/stk;

· andrewtarzia opened on Oct 1, 2024

Macrocycle topology graph does not handle symmetry, small building blocks well

bugSomething isn't workingSomething isn't working

Status: Open.

#532 In lukasturcani/stk;

· andrewtarzia opened on Sep 5, 2024

Position matrix size does not need to match number of atoms (it can be greater)

Status: Open.

#528 In lukasturcani/stk;

· andrewtarzia opened on Apr 30, 2024

Improve the vertex positions in cage topology graphs

Status: Open.

#496 In lukasturcani/stk;

· andrewtarzia opened on Jun 29, 2023

<code>get_building_blocks</code> may need to return <code>BuildingBlock</code> instances

Status: Open.

#493 In lukasturcani/stk;

· lukasturcani opened on Jun 23, 2023

Add support for atomlite

Status: Open.

#487 In lukasturcani/stk;

· lukasturcani opened on May 31, 2023

Get lattice parameters of MOF

Status: Open.

#483 In lukasturcani/stk;

· KP-303 opened on Mar 31, 2023

Make a new set of topology graphs which use other construction libraries

Status: Open.

#482 In lukasturcani/stk;

· lukasturcani opened on Mar 8, 2023

Users need to be able to set core atoms in buliding blocks

Status: Open.

#475 In lukasturcani/stk;

· lukasturcani opened on Nov 16, 2022

Include vertex_alignments keyword for metal_complex topology graphs.

enhancementNew feature or requestNew feature or request

Status: Open.

#472 In lukasturcani/stk;

· andrewtarzia opened on Oct 16, 2022