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Python

Meeko

A new Python package to prepare small molecules for docking.

PythonEmerging

Stars

1

Forks

—

Contributors

6

Last push

36mo ago

Recent commits

Latest commits.

rm asterisk version for happy pip, expose --min_ring_size
78dd7f8diogom38mo ago
delete function MoleculeSetup.remove_hydrogen()
2b52554diogom38mo ago
tests for merge_these_atom_types
849f3ebdiogom38mo ago
API CHANGE: merge_these_atom_types replaces keep_nonpolar_hydrogens
4bca365diogom38mo ago
mk_export.py -c/--only_cluster_leads
439ebeediogom39mo ago

export only cluster leads from DLG to RDKit

27938b3diogom40mo ago

move import statement to top of file

f0acfeadiogom40mo ago

replace stop_at_defauls with inspect.signature

a19a762diogom40mo ago

Top contributors

Builders behind this project.