DiffuCat
The world's first uncertainty-aware generative AI platform for high-throughput catalyst discovery.
Orchestration Workflow
The Discovery Pipeline
Generate, rank, validate, retrain. Every stage of catalyst discovery is orchestrated through our unified intelligence layer.
Generative
Diffusion Latent Sampling
Predictive
Multi-property Oracle
Bayesian
Confidence Calibration
Pareto
Multi-objective Ranking
Validation
Wet-lab Orchestration
Optimization
Online Model Retraining
3D Molecular Archive
Interactive Structures, Real Time
Inspect geometry, infer steric strain, and validate electronic features before a single drop hits the lab.
- PubChem 3D SDF streaming
- Auto-spin with hover pause
- Multiple rendering modes
Latent Diffusion
From Noise to
Catalyst
Watch our proprietary denoising process transform a random latent vector into a high-performance catalytic lattice in real-time.
Interactive Preview
Inference Oracle
Test the live discovery model. Enter any catalytic substrate and observe the predicted activity metrics.
Platform Capabilities
A Chemistry Engine, Not a Demo
Every component is built for live inference, visualization, and lab feedback.
Generative Candidate Engine
Diffusion models propose novel catalysts aligned to target reactions.
Uncertainty-Aware Prediction
Multi-property oracle with calibrated uncertainty and UCB scoring.
Explainable Chemistry
Counterfactual hints and synthetic accessibility in every report.
Active Lab Loop
Queue experiments, capture feedback, retrain automatically.
Initialize the
Discovery Engine
Deploy DiffuCat to your infrastructure and orchestrate the full discovery loop in production.