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Continue of interrupted initialization of DB and skipped molecules

Status: Open.

#45 In ci-lab-cz/easydock;

· DrrDom opened on Jan 5, 2025

Implement protein-ligand fingerprints

enhancementNew feature or requestNew feature or request

Status: Open.

#41 In ci-lab-cz/easydock;

· DrrDom opened on Jul 20, 2024

Pick Top n compound with best docking score with get_sdf_from_dock_db.py

Status: Open.

#37 In ci-lab-cz/easydock;

· Feriolet opened on May 21, 2024

Sampling of ring conformations before docking

enhancementNew feature or requestNew feature or request

Status: Open.

#33 In ci-lab-cz/easydock;

· DrrDom opened on May 7, 2024

Interrupting docking with dask does not interrupt calculations

Status: Open.

#27 In ci-lab-cz/easydock;

· DrrDom opened on Mar 21, 2024

dependance on chemaxon is annoying

Status: Open.

#17 In ci-lab-cz/easydock;

· UnixJunkie opened on Jan 17, 2024