Novo Workbench
The desktop companion for molecular intelligence. Local compute, 3D visualization, and AI-powered analysis — no browser limitations.
What you get on the desktop
Everything that browsers cannot provide. Local compute, native rendering, and file system access — integrated with NovoMCP intelligence.
3D Molecular Viewer
NGL-powered visualization with ball+stick, cartoon, surface, and licorice representations. Rotate, zoom, and inspect atoms in real-time.
Ghost Molecule
AI suggests optimized analogs as you type. Tab to accept, Esc to dismiss. Three optimization targets pre-computed on every molecule load.
ADMET Predictions
40+ prediction models via NovoMCP. Radar charts, traffic-light cards, and five druglikeness rule sets — all in one dashboard.
FAVES Compliance
Five-agent regulatory screening: DEA, FDA, CWC, EPA, EU REACH. PAINS detection and Lipinski checks run locally in milliseconds.
3D Viewer
Ghost Molecule
ADMET
FAVES
AI Chat
Claude, GPT-5, Gemini, or local Ollama models. Five built-in chemistry tools. Multi-turn tool execution with collapsible call blocks.
Batch Analysis
Multi-select compounds, run ADMET + compliance + properties in parallel. Export enriched 27-column CSV reports.
Pipeline Orchestration
Seven-step ETL: connect data sources, preview schemas, map fields, select processing tools, configure destinations, review costs, execute.
Research Explorer
Search literature, patents, clinical trials, and ChEMBL from one interface. Source-badged expandable result cards.
AI Chat
Batch
Pipeline
Research
How it works
Download and install
Drag NovoWorkbench to Applications. No Python, no dependencies — RDKit is bundled.
Open a workspace
Point to a folder of molecule files (SDF, MOL, PDB, SMILES). The app indexes and fingerprints everything automatically.
Start exploring
Paste a SMILES string or click a file. Properties, 3D structure, ADMET predictions, and compliance checks appear instantly.
Free and paid, side by side
Core desktop features work without any API key. Connect NovoMCP to unlock cloud intelligence.
| Feature | Free | NovoMCP-Powered |
|---|---|---|
| NGL 3D viewer | ||
| Properties (MW, LogP, TPSA, HBD, HBA) | ||
| Druglikeness (5 rule sets) | ||
| Molecule linter (PAINS + Lipinski) | ||
| Fingerprint search | ||
| File explorer | ||
| Session persistence | ||
| Batch local properties + CSV | ||
| ADMET radar + 40+ models | — | |
| Ghost Molecule suggestions | — | |
| Deep FAVES compliance | — | |
| Research explorer | — | |
| Credit dashboard | — | |
| Pipeline orchestration | — | |
| Batch ADMET + compliance | — |