Products
Augment your discovery work with a collaborative digital design ecosystem powered by industry-leading computational workflows
All Products
Crystal Structure Prediction Services
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
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
LiveDesign Learning
Your complete solution for rapid AI/ML molecular property predictions
Macro-pKa
Accurate, physics-based modeling of the aqueous ionization and speciation behavior of small molecules
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
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
PyMOL
PyMOL is a user-sponsored molecular visualization system on an open-source foundation, maintained and distributed by Schrödinger
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 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
WScore
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.