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Average Ratings 0 Ratings

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ease
features
design
support

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Write a Review

Description

BIOVIA TURBOMOLE is an advanced software package for quantum chemistry that specializes in ab initio electronic structure calculations for a variety of systems, including molecules, clusters, periodic structures, and solutions. Originally developed at the University of Karlsruhe and Forschungszentrum Karlsruhe GmbH, the package is currently managed by TURBOMOLE GmbH, which has expanded its capabilities to include a wide range of computational methods such as density functional theory (DFT), Møller–Plesset perturbation theory, coupled-cluster techniques, and GW-Bethe–Salpeter approaches. It stands out for its ability to provide precise predictions related to chemical reactions, spectroscopy, and simulations of optical devices. Key features include optimization of reaction pathways, searches for transition states, and the modeling of solvation effects through COSMO-RS. Additionally, its spectroscopic tools cover various techniques such as IR, Raman, VCD, UV-Vis, and vibronic spectra, while simulations of optical properties are enhanced by sophisticated methods for spin-orbit coupling and relativistic all-electron calculations. This powerful software thus serves as an essential resource for researchers aiming to explore complex chemical systems and their properties.

Description

SPECTRA is an innovative platform that leverages AI for data analytics and integration, enabling organizations to smartly gather, harmonize, process, and transfer data from various systems, thereby unlocking significant business value from diverse data sources. By centralizing data that is frequently dispersed across different applications and locations, it facilitates more seamless operations, quicker insights, and diminishes operational hurdles. SPECTRA also provides advanced services for data extraction and management, helping to establish scalable data lakes that act as a unified source of truth while modernizing data warehouses to enhance speed, efficiency, and analytical capabilities. It is capable of processing both structured and unstructured data and utilizes AI-enhanced analytics to aid businesses in extracting actionable insights, ultimately refining decision-making processes across various functions. Furthermore, SPECTRA streamlines analytics projects and bolsters research and development along with compliance efforts by integrating and standardizing data through technologies like optical character recognition and intelligent data labeling, which significantly enhances operational agility. In this way, organizations can better adapt to changing market demands and improve overall productivity.

API Access

Has API No 

API Access

Has API No 

Screenshots View All

Screenshots View All

Integrations

Databricks No 
Java No 
MySQL No 
Oracle Cloud Infrastructure No 
PHP No 
PostgreSQL No 
Python No 
SQL Server No 
Snowflake No 
Tableau No 

Integrations

Databricks Yes 
Java Yes 
MySQL Yes 
Oracle Cloud Infrastructure Yes 
PHP Yes 
PostgreSQL Yes 
Python Yes 
SQL Server Yes 
Snowflake Yes 
Tableau Yes 

Pricing Details

No price information available.
Free Trial No 
Free Version No 

Pricing Details

No price information available.
Free Trial No 
Free Version No 

Deployment

Web-Based No 
On-Premises No 
iPhone App No 
iPad App No 
Android App No 
Windows Yes 
Mac Yes 
Linux Yes 
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 Yes 
Live Rep (24/7) Yes 
Online Support Yes 

Customer Support

Business Hours Yes 
Live Rep (24/7) No 
Online Support Yes 

Types of Training

Training Docs Yes 
Webinars Yes 
Live Training (Online) Yes 
In Person Yes 

Types of Training

Training Docs Yes 
Webinars No 
Live Training (Online) Yes 
In Person No 

Vendor Details

Company Name

Dassault Systèmes

Founded

1981

Country

France

Website

www.3ds.com/products/biovia/turbomole

Vendor Details

Company Name

Relevance Lab

Founded

2011

Country

United States

Website

www.relevancelab.com/platforms/spectra

Product Features

Chemical

Certificates of Analysis No 
Chemical Process Simulation No 
Computer-Assisted Structure Elucidation (CASE) No 
ISO Management No 
Inventory Management No 
Particle Tracking No 
Reporting & Statistics No 
Samples Tracking No 
Traceability No 
Uncertainty Analysis No 

Product Features

Alternatives

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