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RuntimeError: Only H allowed to be in SMILES but not in PDBQT
#305
by kaiweiii
was closed Jan 9, 2025
ImportError: cannot import name 'MoleculeSetupEncoder' from 'meeko.molsetup'
#304
by kaiweiii
was closed Jan 8, 2025
Missing Meeko instalation instruction in Basic Docking Tutorial.
documentation
Improvements or additions to documentation
#302
by radifar
was closed Jan 27, 2025
Polar hydrogen isotopes not listed in H PARENT but in SMILES IDX
bug
Something isn't working
#298
by rwxayheee
was closed Jan 10, 2025
(RDKit limitation) Hydrogen isotope-induced chirality can't be preserved
invalid
This doesn't seem right
#297
by rwxayheee
was closed Dec 28, 2024
Question about generating *.box.pdb with mk_prepare_receptor.py
#294
by sasaju
was closed Jan 3, 2025
fix from_json methods, add from_json_file and from_dict methods
#288
by diogomart
was closed Jan 12, 2025
MonomerInfo/PDBResidueInfo
of atom in monomer.raw_rdkit_mol
is not saved to JSON of Polymer
#283
by rwxayheee
was closed Dec 15, 2024
Low Dielectric Value Observed in GPF File from Meeko Tutorial
#281
by yuki3343
was closed Dec 12, 2024
Catch and elaborate errors for corrupt json or incorrect object hook
enhancement
New feature or request
#279
by rwxayheee
was closed Dec 12, 2024
Use try/except in mk_prepare_ligand.py to automatically exclude "bad" molecules
#271
by diogomart
was closed Dec 9, 2024
Issue: Maximum Recursion Depth Exceeded in mk_prepare_ligand.py
#269
by hezhizhang-269
was closed Dec 9, 2024
RecursionError: maximum recursion depth exceeded while getting the repr of an object
installation
#260
by ivnsch
was closed Dec 27, 2024
mk_prepare_receptor.py: 'load_atom_params' need to suffixed with .json
#251
by frgoe003
was closed Nov 19, 2024
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