License Requirements and Token Usage
Schrödinger License Management
Schrödinger licenses are typically server-based* (also known as “floating licenses”). Rather than being tied to a specific workstation, the license is managed by a central license server. Any computer connected to the license server can access and use the software.
The license server can be either customer-hosted ("on-premise") or Schrödinger-hosted (installed on a server maintained by Schrödinger).
To learn more about setting up, installing, and deploying licenses, see Schrödinger License Manager Instructions .
Licenses and Token Usage
Schrödinger software utilizes a licensing model designed to accommodate the diverse needs of our customer base. Licenses are used to run applications and workflows in Maestro (or Maestro BioLuminate for Biologics, or MS Maestro for Materials Science).
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Applications are the panels in Maestro, including products like Desmond, Jaguar, Glide, and others. You can find the list of applications here.
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Workflows involve the combined use of multiple applications.
Applications and workflows run jobs. Jobs for the different applications and workflows require a specific number of tokens. The number and feature type of tokens determines the number and type of jobs that can be run.
Our software licenses are structured around three core concepts: feature types, dedicated licenses and tokens.
Feature Types
Running an application requires feature types that are included in licenses. Most applications require one feature type.
Jaguar optimization requires the "JAGUAR_MAIN" feature, which is included in a Jaguar license.
Each Jaguar license includes 2 “JAGUAR_MAIN” tokens.
Workflows may run multiple applications and, therefore, require multiple feature types.
Dedicated Licenses
Dedicated licenses come with a specific number of non-interchangeable tokens used to run that application.
The number of licenses determines the maximum number of simultaneous jobs that can be run for that application.
Dedicated licenses are best for users who want dedicated tokens for a specific application.
Jaguar jobs require two JAGUAR_MAIN tokens. One dedicated Jaguar license includes those two tokens.
Therefore, ten dedicated Jaguar licenses include twenty JAGUAR_MAIN tokens which allow ten Jaguar jobs to run simultaneously.
Prime jobs require eight Protein Structure Prediction (PSP) tokens. One dedicated Prime license includes those eight tokens.
Therefore, ten Prime licenses include eighty Prime tokens which allow ten Prime jobs to run simultaneously.
Interchangeable Token Libraries
Interchangeable token libraries are a pool of tokens accessible for a predetermined collection of applications.
Running a job will check out the number of tokens associated with the application(s) for those jobs. The total token quantity in the library sets the maximum simultaneous usage across all applications in the collection.
Interchangeable token libraries are best for running multiple applications flexibly.
Jaguar jobs require two JAGUAR_MAIN tokens. Prime jobs require eight PSP tokens.
A ten token library that includes both Jaguar and Prime allows for a Jaguar job and a Prime job to run simultaneously, or five Jaguar jobs to run simultaneously, or one Prime job to run.
Combining Dedicated Licenses and Interchangeable Token Libraries
Dedicated licenses can be combined with interchangeable token libraries for the most flexibility. A combination is best for having dedicated tokens for heavily used applications and interchangeable tokens that can be used as needed, whether for other applications or for more jobs of the same application.
Example
A user has one dedicated Prime license and a ten token library that includes Jaguar and Prime. They can run two simultaneous Prime jobs (one dedicated license and eight interchangeable tokens) and one Jaguar job (using the remaining two interchangeable tokens), or one Prime Job (one dedicated license) and five Jaguar jobs (each requiring two interchangeable tokens).
CPU / GPU Considerations
Most application license usage scales with the number of CPU’s or the number and type of GPU’s. For example:
Running Glide on four processors requires twenty tokens (five tokens per processor).
Running FEP+ on four L4 GPUs requires four FEP+ licenses (sixteen tokens per GPU).
Learn more: License Usage per GPU Calculator
Token Usage by Application and Workflow
Requirements for the various applications and workflows are listed by their scientific area. For any questions about your specific licensing needs, please reach our to your account manager.
Small Molecule Drug Discovery License Dependencies and Token Usage
Biologics License Dependencies and Token Usage
Materials Science License Dependencies and Token Usage
Other Schrödinger Licenses
PyMOL
A single-user PyMOL license is restricted to one local machine only. A PyMOL site license can be installed on a server that is accessible to all users within the site, installed on multiple local machines, or both. The same credentials and license file can be used for all machines. Learn more about PyMOL.