Search results

Getting PLANTS

Status: Open.

#68 In DrugBud-Suite/DockM8;

· vecos1990 opened on Nov 12, 2024

Fully functional docker or singularity image with all dependencies

Status: Open.

#67 In DrugBud-Suite/DockM8;

· mmagithub opened on Nov 10, 2024

Add ability to generate protein conformational ensemble automatically

featureNew feature or requestNew feature or request

Status: Open.

#65 In DrugBud-Suite/DockM8;

· Tonylac77 opened on Sep 7, 2024

LigGrep Implementation

featureNew feature or requestNew feature or request

Status: Open.

#62 In DrugBud-Suite/DockM8;

· HiteSit opened on Aug 23, 2024

DockM8 Scoring function for Thomson Sampling routine

featureNew feature or requestNew feature or request

Status: Open.

#61 In DrugBud-Suite/DockM8;

· HiteSit opened on Aug 23, 2024

MMPBSA / MMGBSA Rescoring

featureNew feature or requestNew feature or request

Status: Open.

#60 In DrugBud-Suite/DockM8;

· HiteSit opened on Aug 22, 2024

Improve software installation using Python scripts

improvementImprovement that is not a new featureImprovement that is not a new feature

Status: Open.

#55 In DrugBud-Suite/DockM8;

· Tonylac77 opened on Jul 16, 2024

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DockM8 V2

Add new pose selection algorithms

featureNew feature or requestNew feature or request

Status: Open.

#42 In DrugBud-Suite/DockM8;

· Tonylac77 opened on May 25, 2024

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DockM8 V2

Allow for active compound retrieval from CHEMBL and other datasets for decoy generation

Status: Open.

#18 In DrugBud-Suite/DockM8;

· Tonylac77 opened on Mar 19, 2024

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DockM8 V2

Improve conformer generation

featureNew feature or requestNew feature or request

Status: Open.

#17 In DrugBud-Suite/DockM8;

· Tonylac77 opened on Mar 18, 2024

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DockM8 V2

Add better reporting after docking run

featureNew feature or requestNew feature or request

Status: Open.

#16 In DrugBud-Suite/DockM8;

· Tonylac77 opened on Mar 18, 2024

·  

DockM8 V2

Improve docking pose post processing and filtering

featureNew feature or requestNew feature or request

Status: Open.

#15 In DrugBud-Suite/DockM8;

· Tonylac77 opened on Mar 18, 2024

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DockM8 V2