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 when you need it.
3D Molecular Viewer
NGL-powered rendering with ball-and-stick, cartoon, surface, and licorice representations. Rotate, zoom, and inspect at the atom level - without browser rendering constraints.
Ghost Molecule
Optimized analogs appear before you ask for them. Three targets computed the moment a molecule loads. Tab to accept, Esc to dismiss — without running a separate optimization step.
ADMET Predictions
31 ML models via NovoMCP cloud. Radar charts, severity cards, and five drug-likeness rule sets - the complete ADMET profile without switching tools.
Alert screening
PAINS, Lipinski, and controlled-substance alerts run locally in milliseconds — no network required. FAVES certified 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 - your choice of provider. 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 - without scripting or pipeline setup.
Pipeline Builder
Connect data sources, preview schemas, map fields, select processing, execute. Seven steps from warehouse to enriched results - without writing ETL code.
Research Explorer
Literature, patents, clinical trials, and ChEMBL bioactivity from one interface. Source-badged result cards with DOIs and abstracts - without five separate searches.
AI Chat
Batch
Pipeline
Research
Offline and engine-powered, side by side
Free features run locally on the desktop, no account or network required. Enterprise adds hosted infrastructure — GPU compute, 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 certified 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 — even 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