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What is Structure Elucidator?

Advanced algorithms can assist in deciphering intricate structures by analyzing experimental data effectively. By leveraging these tools, researchers can gain deeper insights into the underlying patterns and relationships within their data.

What is Promethium?

Promethium stands out as a cutting-edge platform for simulating chemical processes, leveraging GPU technology to greatly enhance the efficiency and accuracy of quantum chemistry calculations, thus accelerating drug and material development. Specifically designed for NVIDIA's data center GPUs, including models like the A100, it employs sophisticated QC Ware streaming algorithms that yield exceptional computational speed and notable power efficiency. The platform's capabilities allow it to conduct density functional theory (DFT) calculations on molecular systems with up to 2,000 atoms, facilitating the simulation of extensive molecular structures that traditional CPU-based ab initio techniques struggle to manage. For instance, it can perform a single-point calculation for a protein consisting of 2,056 atoms in a mere 14 hours using just one GPU. Promethium offers a wide range of features, such as single-point energy assessments, geometry optimization, conformer exploration, torsion scanning, reaction path refinement, transition state optimization, interaction energy calculations, and relaxed potential energy surface investigations. This extensive functionality positions Promethium as an invaluable asset for chemists eager to explore the frontiers of molecular modeling and simulation, thereby paving the way for new discoveries in the field. Ultimately, the transformative potential of Promethium is poised to redefine the realm of computational chemistry, making it an essential tool for researchers.

Media

Media

Integrations Supported

Integrations Supported

Amazon Web Services (AWS)
NVIDIA DRIVE
Python

API Availability

API Availability

Has API

Pricing Information

Pricing not provided

Pricing Information

$30 per hour
Free Trial Offered?

Supported Platforms

Windows

Supported Platforms

SaaS

Customer Service / Support

Not specified

Customer Service / Support

Web-Based Support

Training Options

Not specified

Training Options

Documentation Hub

Company Facts

Organization Name

ACD/Labs

Date Founded

1994

Company Location

Canada

Company Website

www.acdlabs.com/products/spectrus-platform/structure-elucidator-suite/

Company Facts

Organization Name

Promethium

Company Location

United States

Company Website

www.promethium.qcware.com

Categories and Features

Chemical

Not specified

Molecular Modeling

Not specified

Categories and Features

Drug Discovery

Not specified

Molecular Modeling

Not specified

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