Average Ratings 0 Ratings
Average Ratings 0 Ratings
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
QSimulate presents an array of quantum simulation platforms that harness the principles of quantum mechanics to address intricate, large-scale challenges in life sciences and materials science. The QSP Life platform introduces innovative quantum-enhanced techniques for drug discovery and optimization, facilitating pioneering quantum simulations of ligand-protein interactions that are relevant throughout the entire computational drug discovery journey. Meanwhile, the QUELO platform enables hybrid quantum/classical free energy calculations, empowering users to conduct relative free energy assessments via the free energy perturbation (FEP) method. Furthermore, QSimulate's advancements enable significant progress in quantum mechanics/molecular mechanics (QM/MM) simulations tailored for extensive protein modeling. In the realm of materials science, the QSP Materials platform opens up quantum mechanical simulations to a broader audience, allowing experimentalists to streamline complex workflows without requiring specialized expertise, ultimately fostering greater innovation in the field. This democratization of technology marks a pivotal shift in how researchers can approach and solve scientific problems.
API Access
Has API
Yes
API Access
Has API
No
Integrations
Amazon Web Services (AWS)
No
NVIDIA DRIVE
No
Python
No
Pricing Details
$30 per hour
Free Trial
Yes
Free Version
No
Pricing Details
No price information available.
Free Trial
No
Free Version
No
Deployment
Web-Based
Yes
On-Premises
No
iPhone App
No
iPad App
No
Android App
No
Windows
No
Mac
No
Linux
No
Chromebook
No
Deployment
Web-Based
Yes
On-Premises
No
iPhone App
No
iPad App
No
Android App
No
Windows
No
Mac
No
Linux
No
Chromebook
No
Customer Support
Business Hours
No
Live Rep (24/7)
No
Online Support
Yes
Customer Support
Business Hours
Yes
Live Rep (24/7)
No
Online Support
Yes
Types of Training
Training Docs
Yes
Webinars
No
Live Training (Online)
No
In Person
No
Types of Training
Training Docs
Yes
Webinars
No
Live Training (Online)
Yes
In Person
Yes
Vendor Details
Company Name
Promethium
Country
United States
Website
www.promethium.qcware.com
Vendor Details
Company Name
QSimulate
Country
United States
Website
qsimulate.com/home