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role-plugin

Here are 4 public repositories matching this topic...

Scindices / plumed--plumed2

Development version of plumed 2

status-active lang-python lang-cpp interface-cli role-plugin entity-protein entity-small-molecule interface-api status-published status-packaged-conda scope-focused method-physics method-statistics domain-molecular-simulation task-trajectory-analysis entity-trajectory task-free-energy

Updated Jul 20, 2026
C++

Scindices / nglviewer--nglview

Jupyter widget to interactively view molecular structures and trajectories

status-active lang-python lang-javascript interface-web task-visualization role-plugin domain-structural-biology method-chemoinformatics entity-protein entity-small-molecule interface-jupyter status-published status-packaged-pypi status-packaged-conda scope-focused domain-molecular-simulation entity-trajectory role-viewer

Updated Feb 2, 2026
Jupyter Notebook

Scindices / openmm--openmm-torch

OpenMM plugin to define forces with neural networks

status-active lang-python lang-cpp method-deep-learning role-plugin entity-protein entity-small-molecule interface-api status-published status-packaged-conda scope-focused method-physics domain-molecular-simulation entity-trajectory interface-gpu ecosystem-openmm task-md-engine task-ml-potential

Updated Jun 24, 2026
C++

Scindices / BradyAJohnston--MolecularNodes

Toolbox for molecular animations in Blender, powered by Geometry Nodes.

status-active lang-python task-visualization role-plugin domain-structural-biology method-chemoinformatics entity-protein entity-small-molecule scope-focused domain-molecular-simulation entity-trajectory interface-gui role-viewer

Updated Jul 29, 2026
Python

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