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Description
Promethium is an innovative platform for chemistry simulations that harnesses the power of GPUs to significantly speed up the development of drugs and materials by providing more efficient and precise quantum chemistry calculations. Specifically engineered for NVIDIA data center GPUs, such as the A100, it utilizes advanced QC Ware streaming algorithms to deliver remarkable computational speed and impressive power efficiency. This platform can perform density functional theory (DFT) calculations on molecular systems containing as many as 2,000 atoms, enabling researchers to conduct simulations of large molecular structures that traditional CPU-based ab initio methods cannot handle. For example, it can execute a single-point calculation for a protein with 2,056 atoms in just 14 hours using only one GPU. Promethium is equipped with a diverse array of functionalities, including single-point energy computations, geometry optimizations, conformer searches, torsion scans, reaction path optimizations, transition state optimizations, interaction energy evaluations, and relaxed potential energy surface explorations. Its capabilities make it a powerful tool for chemists looking to push the boundaries of molecular modeling and simulation. Ultimately, Promethium is set to transform the landscape of computational chemistry.
Description
YASARA is a versatile molecular graphics, modeling, and simulation software that was introduced in 1993 and is compatible with Windows, Linux, MacOS, and Android platforms, designed to simplify the process of obtaining answers to your scientific inquiries. Featuring a user-friendly interface and stunning photorealistic visuals, it also accommodates budget-friendly virtual reality headsets, shutter glasses, and autostereoscopic displays, fostering an immersive experience that allows users to concentrate on their objectives while minimizing distractions from the software itself. At the core of YASARA is PVL (Portable Vector Language), an innovative development framework that delivers performance capabilities that far exceed those of conventional applications. This advanced framework empowers users to visualize even the most complex protein structures and facilitates genuine interactive real-time simulations with precise force fields on standard computing systems, while also leveraging GPU capabilities when available. By enabling users to manipulate molecules actively and engage with dynamic models instead of just viewing static images, YASARA represents a significant advancement in molecular modeling technology. This dynamic interaction not only enhances the learning experience but also encourages deeper exploration of molecular behavior.
API Access
Has API
API Access
Has API
Pricing Details
$30 per hour
Free Trial
Free Version
Pricing Details
Free
Free Trial
Free Version
Deployment
Web-Based
On-Premises
iPhone App
iPad App
Android App
Windows
Mac
Linux
Chromebook
Deployment
Web-Based
On-Premises
iPhone App
iPad App
Android App
Windows
Mac
Linux
Chromebook
Customer Support
Business Hours
Live Rep (24/7)
Online Support
Customer Support
Business Hours
Live Rep (24/7)
Online Support
Types of Training
Training Docs
Webinars
Live Training (Online)
In Person
Types of Training
Training Docs
Webinars
Live Training (Online)
In Person
Vendor Details
Company Name
Promethium
Country
United States
Website
www.promethium.qcware.com
Vendor Details
Company Name
YASARA
Founded
1993
Country
Austria
Website
www.yasara.org