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top_poses.py not executing code

bugSomething isn't workingSomething isn't working

Status: Open.

#34 In docking-org/pydock3;

· baltruke opened on May 4, 2023

Undocked molecules despite complete OUTDOCK

bugSomething isn't workingSomething isn't working

Status: Open.

#32 In docking-org/pydock3;

· gregorpatof opened on Apr 5, 2023

Generate statistical analysis graph for retro docking

enhancementNew feature or requestNew feature or request

Status: Open.

#31 In docking-org/pydock3;

· gregorpatof opened on Apr 4, 2023

Dockopt treats protomers/tautormers as separate unique molecules when calculating enrichment

bugSomething isn't workingSomething isn't working

Status: Open.

#30 In docking-org/pydock3;

· svigneron opened on Apr 4, 2023

Allow DockOpt criterion to be a mixture of multiple extant criteria

enhancementNew feature or requestNew feature or request

Status: Open.

#29 In docking-org/pydock3;

· ianscottknight opened on Mar 29, 2023

DockOpt-issued docking jobs occasionally run out of memory

bugSomething isn't workingSomething isn't working

Status: Open.

#28 In docking-org/pydock3;

· ianscottknight opened on Mar 29, 2023

add topics

documentationImprovements or additions to documentationImprovements or additions to documentation

Status: Open.

#27 In docking-org/pydock3;

· Beliavsky opened on Mar 19, 2023

List of bugs that I can found using pydock3 dockopt & comments

bugSomething isn't workingSomething isn't working

Status: Open.

#26 In docking-org/pydock3;

· cbedart opened on Dec 15, 2022

Add pydock3 command for making visualizations of extant retrodock job results

enhancementNew feature or requestNew feature or request

Status: Open.

#25 In docking-org/pydock3;

· ianscottknight opened on Dec 2, 2022

Improve DockOpt report visualizations by standardizing color and ordering

enhancementNew feature or requestNew feature or request

Status: Open.

#24 In docking-org/pydock3;

· ianscottknight opened on Dec 2, 2022

Add enrichment plots of local minima to DockOpt job report

enhancementNew feature or requestNew feature or request

Status: Open.

#22 In docking-org/pydock3;

· ianscottknight opened on Dec 2, 2022

Add option to submit DockOpt jobs through a job scheduler

enhancementNew feature or requestNew feature or request

Status: Open.

#21 In docking-org/pydock3;

· ianscottknight opened on Nov 23, 2022