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ase2networkx is extremly space hungry for large systems

Status: Open.

#115 In zincware/molify;

· MrJulEnergy opened on May 7, 2026

read pdb files

Status: Open.

#99 In zincware/molify;

· PythonFZ opened on Dec 10, 2025

save r_ij in edge information?

Status: Open.

#93 In zincware/molify;

· PythonFZ opened on Nov 26, 2025

reference for packages / papers

Status: Open.

#84 In zincware/molify;

· PythonFZ opened on Nov 14, 2025

compare / integrate with openbabel

Status: Open.

#81 In zincware/molify;

· PythonFZ opened on Nov 5, 2025

select hydrogens via SMARTS

Status: Open.

#78 In zincware/molify;

· PythonFZ opened on Oct 23, 2025

ensure pack structures are the same as their wrapped ones

Status: Open.

#54 In zincware/molify;

· PythonFZ opened on Jul 16, 2025

match molecules larger than box size

Status: Open.

#43 In zincware/molify;

· PythonFZ opened on Jun 4, 2025