Computational intelligence
for molecular discovery.
Open Intelligence Hub builds a unified platform for structure prediction, docking, and molecular dynamics—enabling publication-grade research workflows and scalable industrial delivery.
Platform
A modular pipeline from structure to dynamics: designed for reproducibility, interpretability, and scalable delivery.
Structure Prediction & Complex Modeling
Protein and complex modeling with confidence assessment and conformational sampling. Built for research-grade analysis and downstream simulation.
Docking & Interaction Mapping
Binding-site identification, ligand/protein docking, and interaction profiling. Exportable parameters and traceable reports.
Molecular Dynamics Validation
MD simulations (GROMACS/Martini): RMSD/RMSF, hydrogen bonds, contact maps, stability signals and mechanistic insights.
Technology
A GPU-accelerated workflow integrating structure modeling, docking, and MD—supported by interpretable scoring and iterative optimization.
Unified workflow
- Input: sequences / structures / ligands
- Modeling: structure prediction + complex assembly
- Docking: pose generation + interaction analysis
- MD: stability and conformational dynamics validation
- Scoring: interpretable multi-metric evaluation
Outputs
- Reproducible reports (parameters, seeds, provenance)
- Structures, trajectories, interaction summaries
- Stability indicators and mechanistic interpretation
- Optional API-style integration for pipeline execution
Tip: keep “research collaboration” and “industrial delivery” outputs separated with auditable boundaries.
Partnerships
We collaborate with universities and hospitals on publication-driven research, and support industry partners with scalable, deliverable workflows.
Academic collaboration
Publication-driven workflows for mechanistic studies, benchmarking, and method development.
- Structure & complex modeling for hypothesis testing
- Docking and interaction profiling for mechanism insights
- MD validation for stability and conformational shifts
Industrial delivery
Scalable pipelines for candidate prioritization and optimization, with clear deliverables.
- Standardized report packages and reproducible runs
- Resource governance (quotas, queues, audit logs)
- Optional private deployment architectures
Latest
Announcements, technical notes, and platform updates. (Replace these placeholders with real posts.)
Introducing a unified workflow for reproducible modeling and simulation-driven validation.
A practical scoring framework combining physics signals and interaction metrics.
Publication-driven collaboration templates and reproducible deliverables.
Work with us
Tell us your target, constraints, and desired outputs. We respond with a proposed workflow and deliverables.
Direct contact
Email: contact@yourdomain.com
Location: (optional)
Next steps we can add: case studies (de-identified), papers, hiring page, and a Mol* 3D protein viewer.