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Recommended Workflow for Preparing Ligand Libraries with Structural Issues

Status: Open.

#56 In dptech-corp/Uni-Dock2;

· zhanglzu opened on Sep 2, 2025

Torsion filtering doesn't seem to work

bugSomething isn't workingSomething isn't working

Status: Open.

#45 In dptech-corp/Uni-Dock2;

· claggner opened on Jul 10, 2025

os.cpu_count() may cause overutilization of system resources

Status: Open.

#44 In dptech-corp/Uni-Dock2;

· Aunity opened on Jul 8, 2025

Feature Request: Allowing the user to change the parameters for the RDKit rdFMCS.FindMCS

enhancementNew feature or requestNew feature or request

Status: Open.

#30 In dptech-corp/Uni-Dock2;

· paulneomorph opened on May 22, 2025

FileNotFoundError: [Errno 2] No such file or directory: 'ligand_batch_0/ligand_temp.mol2'

bugSomething isn't workingSomething isn't working

Status: Open.

#27 In dptech-corp/Uni-Dock2;

· krinoz opened on May 16, 2025

It seems the unidock_configurations.yaml was not used

bugSomething isn't workingSomething isn't working

Status: Open.

#26 In dptech-corp/Uni-Dock2;

· yupliu opened on May 16, 2025

Permission error

Status: Open.

#23 In dptech-corp/Uni-Dock2;

· yupliu opened on May 3, 2025