Sold by: QC Ware
Get to the winning molecule faster! Discover drugs, chemicals, catalysts, and materials faster and at lower cost. This modern ab initio SaaS platform allows high accuracy molecular simulations at unprecedented speeds. Unrivaled performance, accuracy, and capabilities make this platform an indispensable part of the discovery process.
Overview
FREE TRIAL for new sign-ups, as outlined here: https://promethium.qcware.com/pricing
Welcome to a modern ab initio platform for the discovery of new drugs, chemicals, catalysts, and materials.
The accuracy and speed of this electronic structure platform increases predictiveness, and reduces the number of compounds that need experimental testing. Deep insights into the underlying mechanisms of reactions and interactions allow customers to optimize leads more efficiently.
Key ab initio capabilities for up to 2,000 atom systems:
- Molecular properties (incl. single point energy, geometry optimization, conformer search, torsion scans)
- Interaction energies
- Reaction paths (incl. transition state and reaction path optimization)
The platform includes a variety of options, including implicit solvation, support for high angular momentum functions, excited states via time-dependent density functional theory, effective core potentials for metal atoms, and support for all elements through to Radon.
Your use of Promethium will be subject to QC Ware's then-applicable compute runtime pricing which will always be available on our pricing website: https://promethium.qcware.com/pricing
New accounts may be eligible for free trial usage before standard rates apply.
Highlights
- Get to your winning molecule faster!
- Save time & experimental costs
- High accuracy ab initio molecular simulations at unprecedented speeds
Details
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Delivery method
Deployed on AWS
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Pricing
Pricing is based on the duration and terms of your contract with the vendor, and additional usage. You pay upfront or in installments according to your contract terms with the vendor. This entitles you to a specified quantity of use for the contract duration. Usage-based pricing is in effect for overages or additional usage not covered in the contract. These charges are applied on top of the contract price. If you choose not to renew or replace your contract before the contract end date, access to your entitlements will expire.
Additional AWS infrastructure costs may apply. Use the AWS Pricing Calculator to estimate your infrastructure costs.
Dimension | Description | Cost/12 months |
|---|---|---|
Account | Promethium Account | $0.00 |
Dimension | Cost/unit |
|---|---|
https://promethium.qcware.com/pricing | $0.01 |
Vendor refund policy
No refunds
Legal
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Delivery details
Software as a Service (SaaS)
SaaS delivers cloud-based software applications directly to customers over the internet. You can access these applications through a subscription model. You will pay recurring monthly usage fees through your AWS bill, while AWS handles deployment and infrastructure management, ensuring scalability, reliability, and seamless integration with other AWS services.
Resources
Vendor resources
Support
Vendor support
Support is available to customers, please email promethium@qcware.com
AWS infrastructure support
AWS Support is a one-on-one, fast-response support channel that is staffed 24x7x365 with experienced and technical support engineers. The service helps customers of all sizes and technical abilities to successfully utilize the products and features provided by Amazon Web Services.
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AI generated from product descriptions
Molecular Property Calculation
Supports computation of molecular properties including single point energy, geometry optimization, conformer search, and torsion scans for molecular systems up to 2,000 atoms
Reaction Path Analysis
Enables transition state optimization and reaction path optimization to identify reaction mechanisms and intermediates
Electronic Structure Methods
Implements ab initio electronic structure calculations with support for time-dependent density functional theory for excited states and effective core potentials for metal atoms
Solvation Modeling
Includes implicit solvation options to simulate molecular behavior in solvent environments
Periodic Table Coverage
Supports computational analysis for all chemical elements through Radon with high angular momentum basis functions
Web-Based Interface
User-friendly and collaborative graphical interface accessible through a web browser for seamless integration and visualization of experimental data alongside computational analyses
Free-Energy Perturbation Workflow
State-of-the-art Free-energy perturbation (FEP) workflow for predicting protein-small molecule binding affinities
AI-Powered Molecular Design
Multiple reaction-based and generative AI powered approaches for small molecule ideation and design
Physics-Based Computational Tools
Suite of physics-based computational tools integrated with AI capabilities for drug discovery applications
Automated Resource Provisioning
Automated provisioning of computational resources and configuration of services within a customer's own VPC on AWS Cloud
Quantum Processing Architecture
4400+ qubit Advantage2 quantum computers utilizing superconducting qubit technology
Hybrid Solver Capability
Quantum-classical hybrid solvers capable of processing production-scale problems with up to 2 million variables and 100,000 constraints
Cloud Access Model
Real-time cloud-based access to quantum computing resources with enterprise-class performance and scalability
Development Environment
Web-based integrated developer environment with Python tools, D-Wave Ocean SDK, and practical coding examples
Standard contract
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