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Augment your discovery work with a collaborative digital design ecosystem powered by industry-leading computational workflows

MaestroMaestro for Life Science and Materials Science
BackgroundLiveDesign -complete digital molecular design lab
MaestroMaestro for Life Science and Materials Science


Maestro is a powerful molecular modeling environment for accessing cutting-edge physics-based molecular simulation workflows, state-of-the-art machine learning, and advanced structure visualization.

BackgroundLiveDesign -complete digital molecular design lab


LiveDesign is a cloud-native, collaborative enterprise informatics platform with integrated 3D design, advanced cheminformatics, and data analysis workflows for the entire discovery team.

All Products

Active Learning Applications

Accelerate discovery with machine learning


Automatic workflow for locating transition states for elementary reactions


Comprehensive modeling platform for biologics discovery


Accurate and efficient conformational search solution

De Novo Design Workflow

Fully-integrated, cloud-based design system for ultra-large scale chemical space exploration and refinement


Automated, scalable solution for the training and application of predictive machine learning models


High-performance molecular dynamics (MD) engine providing high scalability, throughput, and scientific accuracy


Rapid pKa and protonation state prediction tool


High-performance free energy calculations for drug discovery

Force Field Builder

Efficient tool for optimizing custom torsion parameters in OPLS4

GA Optoelectronics

Design solution for novel molecular materials in optoelectronic applications based on a generative algorithm


Industry-leading ligand-receptor docking solution


Accurate ligand binding mode prediction for novel chemical matter, for on-targets and off-targets


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


Versatile ligand preparation tool for structure-based workflows


Your complete digital materials design lab


Accurate, physics-based modeling of the aqueous ionization and speciation behavior of small molecules


Versatile, full-featured molecular modeling program


Complete modeling environment for your molecular discovery

Membrane Permeability

Physics-based solution for rapid and accurate prediction of passive membrane permeability


Efficient coarse-grained (CG) molecular dynamics (MD) simulations for large systems over long time scales

MS Dielectric

Automatic workflow to calculate dielectric properties and refractive index

MS Informatics

Efficient machine learning model builder for materials science applications

MS Maestro

Complete modeling environment for your materials discovery

MS Mobility

Atomistic simulation and analysis of charge mobility in solid-state films of organic semiconductors

MS Morph

Efficient modeling tool for organic crystal habit prediction

MS Penetrant Loading

Molecular dynamics (MD) modeling for predicting water loading and small molecule gas adsorption capacity of a condensed system

MS Reactivity

Automatic workflow for accurate prediction of reactivity and catalysis

MS Transport

Efficient molecular dynamics (MD) simulation tool for predicting liquid viscosity and diffusions of atoms and molecules


A modern, comprehensive force field for accurate molecular simulations


An easy-to-use pharmacophore modeling solution for ligand- and structure-based drug design


A state-of-the-art protein-protein docking program

Prepared Commercial Compound Library

Fully prepared databases of purchasable compounds


A powerful and innovative solution for accurate protein structure prediction


Comprehensive package for accurate protein crystal structure refinement


PyMOL is a user-sponsored molecular visualization system on an open-source foundation, maintained and distributed by Schrödinger


Rapid ADME predictions of drug candidates


High-performance QM/MM program


Integrated graphical user interface for nanoscale quantum mechanical simulations

Research Enablement Services

Services for target enablement, hit discovery and crystal polymorph prediction

Schrödinger 2D Sketcher

Services & Collaborations

Shape Screening

Efficient ligand-based virtual screening of millions to billions of molecules


Fast, accurate, and intuitive binding site identification

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


State-of-the-art, structure-based method for assessing the energetics of water solvating ligand binding sites for ligand optimization


Advanced docking program that leverages explicit water information in the binding site to provide more accurate scoring of ligands

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.