REC
T 298.15 K
P 1.00 atm
ρ 1.04 g·cm⁻³
N 6.022 × 10²³
STEP 42,178
UTC —
§00 · FEATURES

A complete molecular dynamics
workflow.

From drawing molecules to analyzing trajectories — everything you need in one platform.

[ 01 ] Build

Visual molecule builder.

Design molecular systems directly in the browser with an intuitive visual editor. No command-line setup or file-format wrestling.

  • Draw molecules with a 2D sketch editor
  • Import structures from SMILES or PDB
  • Build polymers with repeat-unit specification
  • Monte Carlo packing into simulation boxes
  • Multi-sample packing for ensemble generation
FIG. 2.1 Browser-based molecule builder — draw, import, and pack systems without leaving the page. § build.builder
[ 02 ] Analyze

Real-time analysis & Python notebooks.

Monitor simulations as they run and analyze results with integrated Python notebooks.

  • Live energy, temperature & pressure monitoring
  • In-browser trajectory visualization
  • Built-in Python notebook environment
  • Interactive plotting with drag-and-drop data
  • Export in standard formats (CSV, LAMMPS trajectory)
FIG. 2.2 Trajectory analysis + Python notebooks — live energy, RDF, and custom observables in-platform. § analyze.notebook
[ 03 ] Visualize

Interactive data visualization.

Build interactive plots and explore your simulation results visually.

  • Drag and drop data between plots
  • Zoom, pan, and compare results
  • Energy, RDF, and custom property plots
  • Export publication-ready figures
FIG. 2.3 Drag-and-drop interactive plots — assemble figures from any simulation output column. § analyze.plots

Ready to try it?

Jungular is currently invite-only. Get in touch to request access.

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