Ask & ingest
Bring in papers, datasets, and notes. Let the agent build shared context.
NeoraLab Platform
NeoraLab unifies AI-assisted discovery, molecular design, docking, and bioactivity mining in a single, cloud-native workspace. Every step connects to the next, so you never lose context when you move from research question to candidate shortlist.
Jobs remain traceable, evidence stays linked, and results flow into a shared repository that keeps teams aligned across experiments.
From question to candidate
The platform is designed as a connected flow. Each step passes context forward so you can move quickly without losing scientific rigor or provenance.
Design & simulate
Generate molecules, conformers, and docking runs in a single, guided flow.
Evaluate & compare
Rank candidates with ADMET, bioactivity, and property checks side by side.
Share & preserve
Store outputs in the repository and keep the job lineage intact.
Platform capabilities, built like apps
Each module behaves like a focused app while sharing the same data layer, so your work stays coherent across the entire discovery stack.
App
Neo AI Agent
Ask questions across papers, datasets, and internal notes with shared context.
Multi-doc chatCited answers
App
Molecule Designer
Generate and refine candidate molecules tailored to your target constraints.
Generative proposalsConstraint filters
App
Pocket Finder
Identify binding pockets with 3D views, residue insights, and druggability scores.
Pocket detection3D residue views
App
Bioactivity Tracker
Search bioactivity evidence at ChEMBL scale with AI-assisted insights.
Target/assay filtersCSV exports
App
Molecule Drawer
Sketch 2D structures, validate chemistry, and preview 3D in seconds.
2D sketchingInstant 3D preview
App
Molecule Conform
Generate optimized 3D conformers to prepare ligands for docking and simulation.
Fast conformersDocking-ready prep
App
Molecular Docking
Predict binding poses and affinities with interactive 3D interaction views.
Pose predictionInteraction maps
App
Molecule Evaluate
Assess drug-likeness, ADMET signals, and key physicochemical properties.
ADMET checksSide-by-side comparison
App
Jobs Management
Track every computation with live status, logs, and fast access to results.
Live progressResult history
App
Repository
Keep a shared, searchable archive of molecules, docking results, and analyses.
Shared collectionsExportable records
Why teams choose NeoraLab
Built for real-world life-science workflows, with intelligence, security, and speed at the core.
Accelerated discovery
Move from hypothesis to validated candidates with fewer handoffs and faster iteration cycles.
AI-powered intelligence
Models trained on life-science data surface patterns and recommendations you can validate.
Seamless integration
A unified data layer keeps molecules, targets, and results in sync across modules.
Cloud-native collaboration
Work from anywhere with real-time collaboration and elastic compute.
Enterprise security
Encryption, secure authentication, and granular access controls protect IP.
Research continuity
Jobs tracking and a centralized repository preserve provenance across every experiment.
Perfect for
Teams who need modern AI tooling without losing scientific rigor.
Pharmaceutical teams
Accelerate early-stage discovery, optimize leads, and make data-driven decisions faster.
Biotech startups
Access enterprise-grade tooling without enterprise costs, scaling with your roadmap.
Academic labs
Equip researchers with professional-grade AI tools for publication-ready workflows.
Ready to see the platform on your data?
Schedule a demo or request access to see how NeoraLab can transform your discovery workflow.