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CategoryDrug Discovery & Chemistry
CompanySchrödinger
PriceEnterprise license — contact vendor
StatusStatus not confirmed
AvailabilityGlobally available for commercial and academic institutions
Last checked20/09/2026
FeaturesIndustry-leading FEP+ for predicting relative and absolute protein-ligand binding free energies, Glide docking engine with induced-fit and deep-learning scoring options, Maestro 3D visual modeling and pharmacophore hypothesis generation, Active learning molecular property prediction across multi-billion compound spaces
Entry typeCommercial Software
Access modeCommercial License
AI rolePhysics & ML Hybrid Modeling
Input dataNot recorded
Output dataNot recorded
Licence conditionsProprietary commercial license
Commercial eligibilityCommercial enterprise licensing
Compute requirementsWorkstation / high-performance GPU cluster (CUDA-enabled)
ValidationNot recorded
TypeEnterprise computational chemistry platform
Intended useNot recorded
CompatibilityNot recorded
ManufacturerSchrödinger, Inc.
Biological applicationSmall-molecule drug discovery, structure-based design, and ADMET profiling
Research workflowHit-to-lead and lead optimization via FEP+ calculations and docking
Evidence levelExtensive peer-reviewed validation across hundreds of biopharma programs
Integration evidencehttps://www.schrodinger.com/platform/products/maestro/
Laboratory handoffDirect compound prioritization for chemical synthesis and enzymatic assays