One workbench. On your machine.
The molecule canvas, 3D viewers, and discovery funnel. A native desktop for macOS and Windows. Local RDKit, offline compliance screening, and bring-your-own-LLM chat. Currently in design-partner preview; open-source release planned.
What the desktop makes possible
Native performance, file system access, and offline compliance, integrated with the full NovoMCP discovery engine on demand.
3D Molecular Viewer
NGL-powered rendering with ball-and-stick, cartoon, surface, and licorice representations. Rotate, zoom, and inspect at the atom level, free of browser rendering constraints.
Ghost Molecule
Optimized analogs appear before the request. Three targets computed the moment a molecule loads. Tab to accept, Esc to dismiss. The optimization runs inline.
ADMET Predictions
31 ML models via NovoMCP cloud. Radar charts, severity cards, and five drug-likeness rule sets. The complete ADMET profile in one tool.
Alert screening
PAINS, Lipinski, and controlled-substance alerts run locally in milliseconds, fully offline. FAVES compliance is available as a subscription for regulated pipelines.
3D Viewer
Ghost Molecule
ADMET
Alerts
AI Chat
Claude, GPT-5.5, Gemini, or local Ollama models, the choice of provider is yours. Five built-in chemistry tools with multi-turn execution. Collapsible call blocks keep the conversation clean.
Batch Analysis
Select compounds, run ADMET, compliance, and property analysis in parallel. Export enriched CSV reports directly, free of scripting or pipeline setup.
Pipeline Builder
Connect data sources, preview schemas, map fields, select processing, execute. Seven steps from warehouse to enriched results, free of ETL code.
Research Explorer
Literature, patents, clinical trials, and ChEMBL bioactivity from one interface. Source-badged result cards with DOIs and abstracts, in a single search.
AI Chat
Batch
Pipeline
Research
Offline and engine-powered, side by side
Free features run locally on the desktop, offline and account-free. Enterprise adds hosted compute, GPU jobs, the discovery engine, model APIs, with FAVES compliance available as a subscription.
| Feature | Free | Enterprise |
|---|---|---|
| NGL 3D viewer (ball-and-stick, cartoon, surface, licorice) | ||
| Properties (MW, LogP, TPSA, HBD, HBA, rotatable bonds) | ||
| Druglikeness (Lipinski, Ghose, Veber, Egan, Muegge) | ||
| Molecule linter (PAINS + Lipinski, live) | ||
| Local alert screening (PAINS, Lipinski, controlled-substance flags) | ||
| Fingerprint similarity search | ||
| File explorer (SDF, MOL, PDB, SMILES) | ||
| Session persistence | ||
| Batch local properties + CSV export | ||
| AI chat (bring your own keys or offline Ollama) | ||
| ADMET radar + 31 ML models | — | |
| Ghost Molecule suggestions | — | |
| FAVES compliance (8 jurisdictions, context-aware) | — | |
| Research explorer (literature, patents, ChEMBL, trials) | — | |
| Omics target discovery (108K target-disease pairs) | — | |
| Scaffold hopping & lead optimization | — | |
| GPU docking (AutoDock-GPU) | — | |
| Molecular dynamics (GROMACS) | — | |
| Protein structure prediction (OpenFold3) | — | |
| Quantum chemistry (pKa, solubility, BDE) | — | |
| Patient stratification (56 pharmacogenes) | — | |
| Pipeline orchestration (Snowflake, Databricks, BigQuery) | — | |
| Batch ADMET + compliance | — |
Novo is the engine. Reach it the way you work.
Chat, your own code, the desktop, the browser, your editor, the terminal. One engine and one audit trail, whichever door you use.
- Chat MCP
- API REST
- Workbench you're here
- Browser Browser
- Word Editor
- Dashboard Control
Your compounds. Your machine. Already compliant.
Design-partner preview · open-source release planned