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What is YASARA?

YASARA is a comprehensive software solution for molecular graphics, modeling, and simulation that has been available since 1993 and operates seamlessly across various platforms, including Windows, Linux, MacOS, and Android, aimed at making scientific inquiries more accessible. With an intuitive interface and impressive photorealistic graphics, it supports cost-effective virtual reality headsets, shutter glasses, and autostereoscopic displays, creating an engaging environment that allows users to focus on their research without the software becoming a distraction. Central to YASARA’s functionality is its Portable Vector Language (PVL), a cutting-edge development framework that offers performance levels significantly higher than traditional programs. This powerful framework enables users to visualize intricate protein structures and conduct authentic interactive simulations with accurate force fields on standard computers, while also taking advantage of GPU resources when available. By allowing users to actively manipulate molecules and interact with dynamic models rather than merely observing static representations, YASARA marks a pivotal enhancement in the realm of molecular modeling technology. This interactive capability not only enriches the educational process but also inspires users to delve deeper into the complexities of molecular interactions, ultimately broadening their understanding of scientific phenomena. As a result, YASARA fosters a more engaging and productive research experience for professionals and students alike.

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

Python
Amazon Web Services (AWS)
NVIDIA DRIVE

Integrations Supported

Python
Amazon Web Services (AWS)
NVIDIA DRIVE

API Availability

Has API

API Availability

Has API

Pricing Information

Free
Free Trial Offered?
Free Version

Pricing Information

$30 per hour
Free Trial Offered?
Free Version

Supported Platforms

SaaS
Android
iPhone
iPad
Windows
Mac
On-Prem
Chromebook
Linux

Supported Platforms

SaaS
Android
iPhone
iPad
Windows
Mac
On-Prem
Chromebook
Linux

Customer Service / Support

Standard Support
24 Hour Support
Web-Based Support

Customer Service / Support

Standard Support
24 Hour Support
Web-Based Support

Training Options

Documentation Hub
Webinars
Online Training
On-Site Training

Training Options

Documentation Hub
Webinars
Online Training
On-Site Training

Company Facts

Organization Name

YASARA

Date Founded

1993

Company Location

Austria

Company Website

www.yasara.org

Company Facts

Organization Name

Promethium

Company Location

United States

Company Website

www.promethium.qcware.com

Categories and Features

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