Complete modeling environment for your molecular discovery

Life Science: Maestro
Expand the impact of structural biology on drug design

Discover better quality molecules, faster

Maestro is Schrödinger’s streamlined portal for access to state-of-the-art predictive computational modeling and machine learning workflows for molecular discovery. With an intuitive, advanced graphical user interface, Maestro provides users of all experience levels a unified entry point for gaining novel molecular insights to drive their research.

Advantages of Maestro for molecular design and discovery

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Easy-to-use graphical interface

Create models and analyze results with a simple, guided graphical user interface and step-by-step workflows

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Decades of innovation at your fingertips

Access technology backed by 30+ years of scientific R&D and validated by thousands of customers across the globe

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Fully integrated portal

Benefit from a unified entry point to a wide range of molecular simulation technologies, accessible for users of all experience levels


Power your drug discovery with an integrated platform

Access broad molecular modeling and machine learning capabilities

  • Connect to a diversity of industry-leading computational tools through a single intuitive interface
  • Benefit from workflows that are easily searchable and anticipate next steps in common workflows

Model and interpret molecular interactions that aid in design

  • Reveal structural insights interactively through linked workspace and analysis panels by simply selecting atoms
  • Read molecules in multiple formats and generate design ideas to facilitate molecular exploration

Easily export models for team-wide collaborative molecular design

  • Eliminate data silos and improve team collaboration with tightly coupled digital solutions
  • Import/export structures and models between Maestro and LiveDesign to streamline the discovery process
Virtual Cluster

Simplify your infrastructure by accessing Maestro on the cloud

  • Make Maestro accessible to teams in a secure, virtual cloud environment
  • Easily scale compute resources to meet your demands
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Broad application across drug discovery

Structure Prediction & Target Enablement
Hit Discovery
Hit-to-Lead & Lead Optimization
Drug Formulation 

Case Studies

Discover how Schrödinger technology is being used to solve real-world research challenges.

Hit to development candidate in 10 months: Rapid discovery of a novel, potent MALT1 inhibitor

Morphic Therapeutic leverages digital chemistry strategy to design a novel small molecule inhibitor of α4β7 integrin

High precision, computationally-guided discovery of highly selective Wee1 inhibitors for the treatment of solid tumors

Training & Resources

Online certification courses

Level up your skill set with hands-on, online molecular modeling courses. These self-paced courses cover a range of scientific topics and include access to Schrödinger software and support.


Learn how to deploy the technology and best practices of Schrödinger software for your project success. Find training resources, tutorials, quick start guides, videos, and more.