Sold by: QC WareÂ
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/pricingÂ
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/pricingÂ
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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Features and programs
Financing for AWS Marketplace purchases
AWS Marketplace now accepts line of credit payments through the PNC Vendor Finance program. This program is available to select AWS customers in the US, excluding NV, NC, ND, TN, & VT.
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
Vendor terms and conditions
Upon subscribing to this product, you must acknowledge and agree to the terms and conditions outlined in the vendor's End User License Agreement (EULA)Â .
Content disclaimer
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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.comÂ
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 Simulation Capabilities
Advanced ab initio platform supporting molecular properties, interaction energies, and reaction path calculations for systems up to 2,000 atoms
Quantum Chemistry Modeling
Supports comprehensive electronic structure calculations including geometry optimization, conformer search, and torsion scans
Computational Chemistry Techniques
Includes advanced modeling options like implicit solvation, high angular momentum functions, and time-dependent density functional theory
Element Coverage
Comprehensive elemental support from lightest elements through to Radon, with effective core potentials for metal atoms
Excited State Simulation
Capability to perform excited state calculations using time-dependent density functional theory for complex molecular systems
Web-Based Platform
Provides a web-based interface accessible through a browser for computational analysis and data visualization
AI Computational Tools
Integrates cutting-edge AI and physics-based computational tools for scientific research and analysis
Free-Energy Perturbation Workflow
Implements advanced Free-energy perturbation (FEP) workflow for predicting protein-small molecule binding affinities
Generative AI Approaches
Supports multiple reaction-based and generative AI powered approaches for small molecule ideation
Resource Provisioning
Automates computational resource provisioning and configuration in cloud infrastructure
Quantum Computing Architecture
4400+ qubit Advantage2 quantum computers using superconducting qubit technology
Hybrid Solver Capability
Quantum-classical hybrid solvers capable of processing problems with up to 2 million variables and 100,000 constraints
Developer Environment
Web-based integrated development environments with Python tools, open-source Ocean SDK, and practical coding examples
Computational Scale
Quantum systems supporting large-scale computational problems across optimization and artificial intelligence domains
Quantum Technology Type
Supports both annealing and gate-model quantum computing approaches
Standard contract
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