Crystal Console
Our web-based platform for AI-powered crystallography
Crystal Console Workflows
Powerful Crystal Structure Prediction at Your Fingertips
Crystal Console provides an intuitive interface for conducting comprehensive crystal structure prediction studies, allowing you to identify potential risks and opportunities in your drug development pipeline.
- Virtual polymorph screening
- Quantum mechanical energy calculations
- Comparison with experimental structures
- Cloud-based high-performance computing
Ready to Transform Your Crystal Structure Analysis?
Get started with Crystal Console today and experience the power of AI-driven crystallography.
Contact Us to Get StartedAnalyze crystal structures with an intuitive interface
Import structure data, visualize crystal structures, and analyze potential energies.
Import Crystal Structures
Easily import crystal structures using CIF files and organize your data in a structured way.
- Drag-and-drop file import
- Comprehensive file management
Visualize Crystal Structures
Visualize and analyze crystal structures to identify key structural features that may impact crystal packing and stability.
- Interactive 3D visualization
- Crystal Dataset Clustering and Deduplication
Analyze Potential Energies using AI and Quantum Methods
Understand the potential energy landscape of your crystal structures and identify the most stable polymorphs.
Lavo-NN
A proprietary neural network potential designed for accurate molecule crystal energy predictions.
Quantum Mechanical Methods
Use a variety of quantum mechanical methods to predict potential energies.
Crystal Optimization
Optimize crystals with a variety of methods to resolve their geometries.
Virtual Polymorph Screening
Identify and analyze potential polymorphs to mitigate risks in your drug development pipeline.
AI-Powered Polymorph Screening
Our advanced polymorph screening workflow uses machine learning with advanced sampling techniques to identify potential crystal structures and assess their stability.
Risk Assessment
Identify potential late-appearing polymorphs that could disrupt your development timeline
Energy Landscape
Visualize the complete energy landscape of possible crystal structures
High Throughput
Perform polymorph screening in hours or days, not months
Export and Integrate Results
Seamlessly export polymorph screening data and integrate with other Crystal Console tools for comprehensive analysis.
- Export to multiple formats (CSV, CIF)
- Generate detailed reports with visualizations
- Integrate with third party tools
- Compare with experimental PXRD and single crystal data
Accelerate Your Polymorph Screening Process
Join leading pharmaceutical companies using Crystal Console to streamline their polymorph screening workflow.
Schedule a DemoPowder X-Ray Diffraction Analysis
Upload, analyze, and compare PXRD data with predicted crystal structures.
AI-Powered PXRD Data Processing
Transform PXRD Images into Digital Data
Raw PXRD Image
Digitized Pattern
Our advanced AI-powered system can extract PXRD data directly from images, making it easy to digitize patterns from publications, lab notebooks, or experimental results.
Image Processing Features
- Upload images of PXRD patterns (PNG, JPG, PDF)
- AI-powered data extraction with high accuracy
- Automatic peak detection and calibration
Direct File Upload
We also support direct upload of PXRD data in common formats:
- XYE files
- CSV files
- Bruker RAW files
Search Polymorph Landscape by PXRD Pattern
Match experimental PXRD patterns against your predicted crystal structures to identify the most likely polymorphs present in your sample.
- Advanced pattern matching algorithms
- Identify likely polymorphs without relying on single crystal data
Work with us
Let's discuss how our AI-powered crystal structure prediction can help streamline your pharmaceutical research and development process.
Get Started Today