Software Solutions
Crystal structure prediction for faster, more effective drug development

Crystal structure prediction (CSP) is the task of identifying the correct crystal structure(s) that will form from a given molecule, based on its molecular structure. The crystal form of a drug impacts crucial properties like:

Traditional polymorph screening is:

Lavo’s AI-powered CSP offers a better way
Analyze millions of potential crystal structures in days, not weeks or months.
Accurate predictions
Leverage cutting-edge physically-constrained AI algorithms trained on vast datasets for reliable results.
Unbiased exploration
Discover novel polymorphs not readily found by traditional methods.
Environment factors
Explore how environmental factors like temperature and pressure affect crystal stability, informing experiments.
Single molecule prediction
Identify the most stable crystal structure for your specific drug candidate.
Batch screening
Analyze multiple molecules simultaneously for efficient portfolio optimization.
Customized studies
Tailor our approach to your unique needs and research questions.
Work with us
Contact us to learn more about how our technology can accelerate your solid state drug development efforts
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