@holoscript/holoscript-scientific-plugin

HoloScript plugin for VR-based molecular dynamics and scientific simulation — part of the HoloScript ecosystem.

Bridge HoloScript with interactive molecular dynamics via Narupa/NanoVer. Visualize proteins, run drug-docking simulations, and manipulate molecular systems in immersive 3D.

Features

• VR molecular visualization (proteins, ligands, small molecules)
• Interactive ligand docking — manually guide molecules to binding sites
• Parallel simulation runs across multiple Narupa servers
• Real-time molecular dynamics with force feedback
• Multi-agent orchestration for coordinated simulation workflows

Installation

git clone https://github.com/brianonbased-dev/holoscript-scientific-plugin
cd holoscript-scientific-plugin
npm install
pip install nanover-server
npm run build

Usage

object "Protein Viewer" @narupa_integration {
  source: "1ABC.pdb",
  server_port: 38801,
  position: [0, 1.5, -2],
}

object "Target Protein" @narupa_integration @interactive_forces {
  source: "target_protein.pdb",
  server_port: 38801,
  force_enabled: true,
}

object "Drug Ligand" @molecular_dynamics @grabbable {
  protein: "target_protein.pdb",
  ligand: "drug_candidate.mol",
  user_controlled: true,
}

Requirements

• Node.js 18+
• Python 3.8+
• NanoVer server

Status

Experimental. Core Narupa integration and trait scaffolding are in place. Expect breaking changes while the API stabilizes.

License

MIT © HoloScript Contributors