Schrödinger / schrodinger.com
Computational chemistry platform combining physics-based molecular simulation with AI machine learning to predict drug-molecule properties, accelerate lead optimisation, and design novel drug candidates.
Pricing
Free
Free plan
No
Category
Developer Tools
Platforms
4
Free plan
No
API access
Yes
Open source
No
Platforms
4
Schrödinger is a computational chemistry company that has incorporated AI and machine learning into its established molecular simulation platform, creating a hybrid approach that combines the predictive accuracy of physics-based methods with the speed of machine learning.
Schrödinger's software platform (Maestro, Glide, FEP+) is used by most major pharmaceutical companies for structure-based drug design — computationally modelling how potential drug molecules bind to target proteins. The physics-based free energy perturbation (FEP+) method is considered one of the most accurate computational methods for predicting protein-ligand binding affinity, the key metric in drug design.
The AI components include machine learning models trained on Schrödinger's extensive proprietary database of molecular simulation results, allowing faster but still accurate predictions for property screening tasks where running full simulations would be prohibitively slow. This ML-augmented approach allows screening larger chemical spaces more rapidly.
Schrödinger runs its own drug discovery programme — using its platform to discover drug candidates for diseases including oncology and neurological disorders — validating the platform's drug design capabilities internally. Several Schrödinger-discovered candidates have entered clinical trials.
Academic licensing makes Schrödinger accessible to university research groups at reduced or no cost, driving widespread adoption in academic computational chemistry. The academic user base creates a pipeline of researchers familiar with Schrödinger tools who bring that knowledge to pharmaceutical industry roles.
Schrödinger AI runs as ml platform software built around data workflows. Users typically start with a prompt, upload, or connected data source, and the underlying model handles the heavy lifting before returning a result you can refine or export. It's available on windows, mac, and linux, with API access for teams that want to embed it into their own products.
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The capabilities that matter most for teams evaluating Schrödinger AI.
Physics-based method for accurately predicting drug-protein binding affinity, one of the most critical properties for drug design and considered a gold standard in computational chemistry.
ML models trained on Schrödinger's proprietary simulation database enabling faster property prediction for large chemical space screening where full physics-based simulation is prohibitively slow.
Maestro platform for computationally modelling drug-protein interactions, allowing medicinal chemists to design and evaluate molecules computationally before synthesis.
Enterprise licensing for pharmaceutical companies and research institutions. Academic licensing available. No public pricing.
Model
Enterprise
Starting price
Free
Free trial
Yes
Maestro/Glide/FEP+ are Schrödinger's own tools. OpenEye (now Cadence) is a direct competitor. MOE (Chemical Computing Group) is a competing molecular modelling suite. Insilico Medicine focuses more on generative chemistry.
A side-by-side look at the closest alternative in this category.
Key facts about model providers, platforms, and team support.
Model Provider
Schrödinger
Platforms
Windows, Mac, Linux, Cloud
Deployment
SaaS, On-premise, Cloud
Integrations
AWS, Azure, GCP, Pharmaceutical informatics platforms, API
Team Collaboration
No
Launch Year
2020
Compliance signals and data-handling notes as reported by the vendor.
SOC 2 Type II. Enterprise data handling agreements. Academic licensing terms separate from commercial. Research data security standards.
Molecular design data processed under enterprise data handling agreements. Computation can run on Schrödinger's cloud or customer's own hardware.
Editorial Verdict
Schrödinger is the standard computational chemistry platform for physics-based drug design with AI augmentation, used by most major pharmaceutical companies for lead optimisation and structure-based design.
Last verified July 24, 2026.
Enterprise licensing for pharmaceutical companies and research institutions. Academic licensing available. No public pricing.
Enterprise and institutional licensing for pharmaceutical partners. No public access. Public company listed on NASDAQ.
SOC 2 Type II. Enterprise data handling agreements. Academic licensing terms separate from commercial. Research data security standards.
Enterprise research data handling agreements. GDPR compliant. Research use data protected under partnership terms.
Molecular design data processed under enterprise data handling agreements. Computation can run on Schrödinger's cloud or customer's own hardware.
Drug discovery research data processed under enterprise partnership data handling agreements. Review applicable regulatory requirements for clinical programme data.
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