Compliance & Validation — Documented
ISO 27001
XtalPi
Quantum-physics and AI platform for molecular modeling and automated drug and materials discovery.
XtalPi (QuantumPharm) combines quantum physics-based computation, machine learning, and robotic automation to predict molecular properties and accelerate drug and materials discovery. Its intelligent, automated research platform supports crystal structure prediction, molecular design, and high-throughput experimentation for pharmaceutical and materials science partners.
- Headquarters
- Shenzhen, China
- Founded
- 2015
- Compliance
- ISO 27001
- Deployment options
- cloud
- Website
- https://www.xtalpi.com
Categories
AI Use Cases
- ADMET & Toxicity Prediction
- Hit Identification & Lead Optimization
Vendor Scorecard
93% — Complete coverage. Coverage score — how completely Atlas documents XtalPi across 7 buyer-evaluation areas. Reflects available Atlas data, not solution quality.
Deployment & Hosting — Documented
cloud
Pricing Transparency — Documented
Partnership / service based
Implementation & Onboarding — Documented
3–6 months
Organization & Role Fit — Documented
Biotech Startup, Mid-Size Biotech, Large Pharma, Top 20 Pharma, Drug Discovery, R&D Leadership
Solution Scope — Documented
ADMET Prediction, Molecular Generation, Protein Structure Prediction
Company Viability — Partially documented
Public, Founded 2015
Always ask the vendor
Not captured in Atlas data — confirm directly. Excluded from the score above.
Data Rights & IP
Who owns model outputs? Is our proprietary data used to train models others can access, and where does our data reside?
Model Credibility & Explainability
Can you share validation studies or benchmarks, explain how the model reaches its conclusions, and describe how bias and drift are monitored?
Evidence & Outcomes
Eli Lilly AI and robotics drug-discovery collaboration
XtalPi and Eli Lilly announced a collaboration to apply XtalPi's AI and robotics-driven drug discovery platform to uncover first-in-class small-molecule therapeutics.
news (Pharmaceutical Executive) · 2023-06-01 — Partner: Eli Lilly
Pfizer collaboration expanded for next-generation molecular modeling
XtalPi announced an expansion of its research collaboration with Pfizer to build a next-generation molecular modeling platform for drug discovery, applying XtalPi's AI and robotics capabilities to improve the accuracy of computational predictions.
press release (XtalPi (PR Newswire)) · 2025-06-29 — Partner: Pfizer
Questions to Ask This Vendor
- How is your crystal structure prediction validated experimentally?
- What does your robotics lab automation cover?
- How is IP handled in collaborative programs?