XtalPi

Crystal Structure Prediction software for polymorphic risk assessment

Cloud-based crystal structure prediction platform that performs global search of crystal structures to identify thermodynamically stable crystalline forms. Features intuitive user interface, scalable cloud resources, and ISO/IEC 27001:2013 compliant data security. Completes regular systems in 2-3 weeks and complex systems in 6-8 weeks.

Desktop Solid Dispenser for automated powder dispensing

Desktop solid dispensing system for automated handling of solid materials in pharmaceutical research. Part of the autonomous laboratory infrastructure for enhanced precision and throughput in chemical execution.

Intelligent Crystallization Workstation for automated solid-state research

Automated crystallization workstation for solid-state research and polymorph screening. Integrates with XtalPi's computational platforms to enable high-throughput experimental validation of predicted crystal forms.

Micro-Powder Dispensing System for precise material handling

Micro-powder dispensing system for precise automated handling of small quantities of solid materials in pharmaceutical research and development workflows.

Patent Extraction tool for drug discovery intelligence

Digital chemistry platform tool that allows discovery scientists to extract patent data, supporting competitive intelligence and freedom-to-operate analysis in drug discovery projects.

Peptide Platform for peptide drug discovery

Specialized platform for peptide drug discovery combining AI and automation capabilities. Supports hit discovery and optimization for peptide-based therapeutics.

Intelligent Synthesis Workstation for automated chemical synthesis

Advanced automated system for chemical synthesis that streamlines experimental processes and increases efficiency and consistency of research activities. Part of the autonomous lab solution for digitized and automated chemistry execution at scale.

High Accuracy Free Energy Calculation Tool for binding affinity predictions

Physics-based free energy perturbation technology for computationally predicting protein-ligand binding at an accuracy matching experimental methods. Covers drug design scenarios like binding free energy, scaffold hopping, and protein mutations across various targets with state-of-the-art molecular force field.

Solid State Research Solution for polymorph screening and crystallization

Comprehensive solid-state research platform combining computational chemistry and AI to empower pharmaceutical solid-state research. Includes crystal structure prediction (CSP), solid-state virtual screening, and morphology prediction capabilities for polymorphic risk assessment and stability analysis.

Generative Chemistry Tool for AI-driven molecular design

AI compound generation platform that enables exploration of ultra-large chemical space. Covers most molecular design scenarios and generation strategies, allowing discovery scientists to explore novel chemical space and quickly identify promising drug candidates.