Core Capability
Precision Docking & Scoring
From industry-standard methods to novel diffusion models, our suite offers unparalleled accuracy in predicting molecular interactions.
- AntDock & LigandLock for efficiency
- DiffuseBind for novel accuracy
- Pose Rescoring for refinement
Core Capability
AI-Powered ADMET & QSAR Prediction
Leverage cutting-edge models trained on vast datasets to forecast toxicity, pharmacokinetics, and structure-activity relationships early in your pipeline.
- ToxAI for toxicity screening
- PharmK-AI for pharmacokinetics
- Comprehensive QSAR & PhysChem models
Core Capability
De Novo Design & Virtual Screening
Go beyond existing libraries. Generate novel molecular structures or screen billions of compounds to find your next lead candidate.
- DeNovo-Generator for novel ideas
- SilicoScreen for large-scale screening
- PharmFrag for pharmacophore-based study
Core Capability
Simulation & In-Depth Analysis
Understand the dynamics of your system. Run simulations and use our powerful analysis tools to interpret complex results with clarity.
- Full Molecular Dynamics engine
- Post-Docking Interaction Analysis
- Automated Pocket-Finder utility