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Description
An integrated platform that bridges scientific reasoning, compound development, and computational tools is now available. Chemaxon’s Design Hub supports medicinal chemistry by facilitating the analysis and prioritization of innovative ideas. This unified platform allows users to design compounds and manage concepts seamlessly. Transitioning from traditional PowerPoint presentations to dynamic, visually engaging, and chemically searchable hypotheses enhances the compound design workflow. Users can conveniently utilize established physicochemical properties, computational models, novelty considerations, or accessible compound catalogs within an interactive visual setting. Collaborate with your Contract Research Organizations (CROs) in the compound development journey through this secure online resource. Furthermore, assess the gathered data from biological assays or experimental structural insights to derive Structure-Activity Relationships (SAR) and generate fresh hypotheses for subsequent optimization cycles. Your scientific ideas can be conveniently organized in a “designer's electronic lab notebook,” which features chemically aware drawing tools that streamline the design process. This comprehensive approach ensures that every step of compound development is efficient and well-documented, paving the way for future innovations.
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.
API Access
Has API
API Access
Has API
Integrations
Amazon Web Services (AWS)
Docker
Microsoft PowerPoint
NVIDIA DRIVE
Node.js
PostgreSQL
Python
Integrations
Amazon Web Services (AWS)
Docker
Microsoft PowerPoint
NVIDIA DRIVE
Node.js
PostgreSQL
Python
Pricing Details
No price information available.
Free Trial
Free Version
Pricing Details
$30 per hour
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
Chemaxon
Founded
1998
Country
Hungary
Website
chemaxon.com/design-hub
Vendor Details
Company Name
Promethium
Country
United States
Website
www.promethium.qcware.com