Case Study

AI-Enhanced Molecular Modeling Shortens The Path To Market of New Drugs

Biosimulytics transforms computational drug development with Viridien HPC Cloud and software optimization, which enabled millions of molecular simulations in a short time frame. Increased compute capacity supports faster lead optimization, reduces development risk, and improves confidence in form selection.

Image of the quote made by Peter Doyle about Viridien HPC Biosimulytics

CHALLENGE

Biosimulytics faced the compute challenge of taking the 2D structure of molecules and searching a vast 3D landscape for the lowest energy predictions. Identifying these configurations required millions of simulations, creating significant demands on performance and scalability while meeting customer expectations for results in two weeks or less.

Complex simulations - Explore vast 3D molecular landscapes from 2D structures
Rapid turnaround - Deliver results in two weeks or less
Streamline compute - Run millions of simulations efficiently

RESULTS

Thanks to this partnership, Biosimulytics is on track to achieve their goals for speed, cost, utility, and usability. AI-driven software optimization and HPC Cloud resources support large-scale molecular modeling, helping make advanced simulation workflows more practical and accessible.

Accelerated screening - AI-enhanced polymorph screening
Expanded capacity - Millions of simulations at scale
Greater certainty - Confidence in form selection

AI-Enhanced

Molecular modeling

Millions of

Simulations

Reduced

Development risk

Viridien HPC Cloud enables the compute-intensive simulations required for modern drug discovery, helping research organizations accelerate innovation and unlock deeper scientific insights.