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features
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support

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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

Founded in 2000, VeraChem LLC aims to enhance the field of computer-aided drug discovery and molecular design by creating advanced computational chemistry techniques that merge innovative basic science with practical applications in research. A key aspect of the company's strategy for product development lies in delivering efficient, high-performance software solutions along with extensive user support. Among the current capabilities of VeraChem's software are predictions for protein-ligand and host-guest binding affinities, rapid and precise calculations of partial atomic charges for drug-like molecules, and the computation of energies and forces utilizing widely-used empirical force fields. Additionally, the software features automatic generation of alternate resonance forms for drug-like compounds, a robust conformational search enabled by the Tork algorithm, and the automatic identification of topological and three-dimensional molecular symmetries. The modular code base of VeraChem’s software packages allows for flexibility and adaptability in meeting diverse research needs, ensuring that users can leverage these tools effectively for their specific applications.

API Access

Has API Yes 

API Access

Has API No 

Screenshots View All

Screenshots View All

Integrations

Amazon Web Services (AWS) Yes 
NVIDIA DRIVE Yes 
Python Yes 

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) No 
In Person Yes 

Vendor Details

Company Name

Promethium

Country

United States

Website

www.promethium.qcware.com

Vendor Details

Company Name

VeraChem

Country

United States

Website

www.verachem.com/small-molecules/

Product Features

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