Schrodinger logo

Schrodinger

by Schrödinger, Inc. · Since 1990
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Quick facts
VendorSchrödinger, Inc.
Year launched1990
StatusActive
Location120 West 45th Street, 17th Floor, New York, NY 10036, USA
Countries servedN/A
Languages1
Integrations1+
Free tierNO
Free trialNO
Contact salesYES

About Schrodinger

A physics-based computational platform for molecular discovery and design. It provides chemical simulation software for pharmaceutical, biotechnology, and materials research, enabling predictive modeling, data analytics, and collaboration.

Schrödinger provides a physics-based computational platform for molecular discovery and design, serving researchers in pharmaceuticals, biotechnology, and materials science. The platform integrates predictive modeling, data analytics, and collaborative tools to accelerate the exploration of chemical space. Core products include Maestro for unified modeling, Glide for ligand docking, Desmond for molecular dynamics, and FEP+ for free energy calculations. The software is aimed at computational chemists, medicinal chemists, and structural biologists in both academic and commercial settings. Pricing is not publicly available and requires a sales inquiry. Support is offered through a customer portal with documentation, a knowledge base, and case submission, along with training resources like online courses and webinars.

Pros & Cons

Pros
  • Offers a comprehensive suite of tools for molecular modeling, simulation, and drug discovery.
  • Provides a powerful physics-based platform for accurate predictions.
  • Supports both life sciences and materials science applications.
  • Extensive documentation, training resources, and a Python API are available.
  • Used by both academic and commercial researchers in biotech and pharmaceuticals.
Cons
  • Pricing is not publicly available and requires contacting sales.
  • The platform can be complex, likely requiring specialized knowledge to use effectively.

Features

Key features

Small Molecule Discovery

Tools for structure prediction, target enablement, hit discovery, and lead optimization.

Materials Science Solutions

Capabilities for designing polymeric materials, organic electronics, and managing energy capture and storage.

Molecular Dynamics Simulations

High-performance MD engine (Desmond) for scalability, throughput, and scientific accuracy.

Quantum Mechanics

The Jaguar module provides rapid and accurate prediction of molecular structures and properties.

Ligand-Receptor Docking

Glide offers an industry-leading solution for docking ligands to receptors.

Free Energy Calculations (FEP+)

High-performance calculations for both drug discovery and biologics.

Collaborative Design (LiveDesign)

A platform for teams to collaborate on molecular design projects.

Python API

Allows for automation of workflows and extension of the software's core functionality.

Additional features

Antibody Design

Specialized tools for engineering and modeling antibodies.

Peptide Discovery

Computational methods for designing and optimizing peptides.

Enzyme Engineering

Tools to engineer enzymes for specific functions.

Crystal Structure Prediction

Helps de-risk solid form selection by identifying stable polymorphs.

De Novo Design Workflow

A cloud-based system for exploring and refining vast chemical spaces.

Machine Learning Models (DeepAutoQSAR)

An automated solution for training and applying predictive machine learning models.

pKa and Protonation State Prediction (Epik)

A rapid tool for predicting pKa values.

Force Field Builder

An efficient tool for optimizing custom torsion parameters in OPLS4.

Pricing

Free trial
Free version
Request a quote
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Countries & Languages

Countries served
1
Interface languages
Billing currencies

Interface languages

English

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