Search results

Add binding mode displaying only interaction type not residues

Status: Open.

#168 In wolberlab/OpenMMDL;

· talagayev opened on Dec 13, 2025

Transition from <code>print</code> to <code>logging</code>

Status: Open.

#167 In wolberlab/OpenMMDL;

· talagayev opened on Dec 10, 2025

Addition of <code>OpenFF 3.0.0 alpha</code>

Status: Open.

#165 In wolberlab/OpenMMDL;

· talagayev opened on Nov 13, 2025

Addition of <code>lipid19.xml</code>

Status: Open.

#164 In wolberlab/OpenMMDL;

· talagayev opened on Nov 3, 2025

Addition of forcefield version selection for <code>GAFF</code> and <code>SMIRNOFF</code>

Status: Open.

#162 In wolberlab/OpenMMDL;

· talagayev opened on Oct 19, 2025

Implementation of <code>MPS</code> support for the simulations

low priorityA low priority issueA low priority issue

Status: Open.

#154 In wolberlab/OpenMMDL;

· talagayev opened on Jun 5, 2025

Increase <code>protein-ligand</code> interaction calculation speed through threshold of <code>protein</code> <code>mda.AtomGroup</code>

enhancementNew feature or requestNew feature or request

Status: Open.

#153 In wolberlab/OpenMMDL;

· talagayev opened on Jun 3, 2025

Impmenetation of <code>Platform</code> to membrane addition

enhancementNew feature or requestNew feature or request

Status: Open.

#150 In wolberlab/OpenMMDL;

· talagayev opened on May 30, 2025

Using XML Ligand Parameter Files with openmmdl for Protein/Membrane Simulations

Status: Open.

#129 In wolberlab/OpenMMDL;

· mmagithub opened on Apr 11, 2025

Add high throughput ligand simulation

enhancementNew feature or requestNew feature or request

OpenMMDL Setup

OpenMMDL Simulation

Status: Open.

#117 In wolberlab/OpenMMDL;

· NDoering99 opened on Feb 20, 2025

Error in running input file and trajectory analysis

Status: Open.

#116 In wolberlab/OpenMMDL;

· Gsk468 opened on Feb 19, 2025

[Fast Enhacement] Update OpenFF Force field version

Status: Open.

#112 In wolberlab/OpenMMDL;

· talagayev opened on Dec 14, 2024