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Accept an available alternative residue coordinates if there is no other alternative

enhancementNew feature or requestNew feature or request

Status: Open.

#440 In forlilab/Meeko;

· DrrDom opened on Jan 25, 2026

mk_prepare_receptor: keep protonation of the input structure

enhancementNew feature or requestNew feature or request

Status: Open.

#439 In forlilab/Meeko;

· DrrDom opened on Jan 25, 2026

Receptor preparation at specific pH

Status: Open.

#427 In forlilab/Meeko;

· lireo opened on Dec 10, 2025

mk_prepare_receptor fails with a specific CCD/PDBe ligand present

Status: Open.

#416 In forlilab/Meeko;

· g-e-kenney opened on Nov 12, 2025

check for non-real Hs in user added templates

Status: Open.

#405 In forlilab/Meeko;

· diogomart opened on Oct 15, 2025

improve error handling for failed paddings

Status: Open.

#402 In forlilab/Meeko;

· diogomart opened on Oct 13, 2025

Issue using mk_prepare_receptor.py to prepare large pdbs

bugSomething isn't workingSomething isn't working

Status: Open.

#401 In forlilab/Meeko;

· allisonbarkdull opened on Oct 9, 2025

·  

v0.7.0

Invalid pseudo-atoms (CG0, G0) in PDBQT output for bridged bicyclic compound

duplicateThis issue or pull request already existsThis issue or pull request already exists

Status: Open.

#397 In forlilab/Meeko;

· naglemi opened on Oct 2, 2025

Error when following tutorial with reduce

Status: Open.

#396 In forlilab/Meeko;

· jeremycheminf opened on Sep 30, 2025

mk_prepare_ligand.py misleadingly reports reactive docking variants as repeated mol names

Status: Open.

#394 In forlilab/Meeko;

· diogomart opened on Sep 23, 2025

Receptor Preparation error

Status: Open.

#393 In forlilab/Meeko;

· NitPo opened on Sep 16, 2025

pre-compute espaloma charges for residue templates

enhancementNew feature or requestNew feature or request

Status: Open.

#392 In forlilab/Meeko;

· diogomart opened on Sep 15, 2025

·  

v0.8.0