Products
Bifunctional Degrader Solutions
Accurately generate, score and optimize your protein degrader complexes with confidence
Contract Research Services
Advance your materials R&D with unrivaled technologies and expertise
Crystal Structure Prediction
De-risk your solid form selection process by identifying the most stable polymorph at room temperature
De Novo Design Workflow
Fully-integrated, cloud-based design system for ultra-large scale chemical space exploration and refinement
DeepAutoQSAR
Automated, scalable solution for the training and application of predictive machine learning models
Desmond
High-performance molecular dynamics (MD) engine providing high scalability, throughput, and scientific accuracy
Force Field Builder
Efficient tool for optimizing custom torsion parameters in OPLS4
Force Field Bundle
Improve the quality of your computational predictions with best-in-class, proprietary force fields — developed in-house and built for accuracy
GA Optoelectronics
Design solution for novel molecular materials in optoelectronic applications based on a generative algorithm
IFD-MD
Accurate ligand binding mode prediction for novel chemical matter, for on-targets and off-targets
Jaguar
Quantum mechanics solution for rapid and accurate prediction of molecular structures and properties
Jaguar Spectroscopy
Conformationally-dependent spectroscopic characterization based on quantum mechanics calculations
KNIME Extensions
Modular, highly configurable framework for easy workflow automation and data analysis
Ligand Designer
Intuitive, interactive 3D ligand design for hit-to-lead and lead optimization
Macro-pKa
Accurate, physics-based modeling of the aqueous ionization and speciation behavior of small molecules
Maestro + LiveDesign Bundle
Your integrated design, model, and collaborate package to quickly start your drug discovery program with Maestro and LiveDesign.
Membrane Permeability
Physics-based solution for rapid and accurate prediction of passive membrane permeability
Modeling Services
Services for target enablement, hit discovery, ADMET liabilities, and crystal structure prediction
MS CG
Efficient coarse-grained (CG) molecular dynamics (MD) simulations for large systems over long time scales
MS Complex Bilayer Builder
Automatically build realistic membranes with embedded proteins
MS Dielectric
Automatic workflow to calculate dielectric properties and refractive index
MS Force Field Applications
Cutting-edge force field technologies for accurate property predictions
MS Formulation ML
Automated machine learning solution to generate accurate formulation-property relationships and screen new formulations with desired properties
MS Informatics
Automated machine learning tools for materials science applications
MS Mobility
Atomistic simulation and analysis of charge mobility in solid-state films of organic semiconductors
MS Penetrant Loading
Molecular dynamics (MD) modeling for predicting water loading and small molecule gas adsorption capacity of a condensed system
MS Reactive Interface Simulator
Generate physically relevant electrode-electrolyte interface morphologies for batteries
MS Reactivity
Automated workflows for design, optimization, and unsupervised mechanism discovery in molecular chemistry
MS Transport
Efficient molecular dynamics (MD) simulation tool for predicting liquid viscosity, conductivity and diffusions of atoms and molecules
OLED Device ML
Machine learning solution to investigate relationships between the architecture and performance of OLED devices for accelerated screening
OPLS4 & OPLS5 Force Field
A modern, comprehensive force field for accurate molecular simulations
Phase
An easy-to-use pharmacophore modeling solution for ligand- and structure-based drug design
Protein Design Services
Optimize your protein design projects with structure-based modeling
PyMOL
PyMOL is a user-sponsored molecular visualization system on an open-source foundation, maintained and distributed by Schrödinger
Quantum ESPRESSO Interface
Integrated graphical user interface for nanoscale quantum mechanical simulations
Schrödinger 2D Sketcher
Services & Collaborations
Services and collaborations to advance materials science research
Shape Screening
Efficient ligand-based virtual screening of millions to billions of molecules
Structure-Based ADMET Services
De-risk ADMET liabilities more efficiently using structure-based design
Target Enablement Services
Unlock your protein target and ligand series of interest for rigorous structure-based design
Virtual Cluster
Secure, scalable environment for running simulations on the cloud
Virtual Screening Web Service
Virtual, novel hits from a billion-compound library delivered in one week
WaterMap
State-of-the-art, structure-based method for assessing the energetics of water solvating ligand binding sites for ligand optimization
Life science resources
Learn how to integrate Schrödinger technology into your research with molecular modeling training resources, curated by Schrödinger Education experts.
Materials science resources
Level-up your research with molecular modeling training resources, curated by Schrödinger Education experts.