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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

CDD Vault allows you to intuitively organize chemical structures, biological study data, as well as collaborate with external or internal partners via a simple web interface. Start a free trial to see how easy it can be to manage drug discovery data. Tailored for You Affordable Scales with your project team Activity & Registration * Electronic Lab Notebook * Visualization * Inventory * APIs

API Access

Has API No 

API Access

Has API Yes 

Screenshots View All

Screenshots View All

Integrations

BIOVIA No 
KNIME Analytics Platform No 
Microsoft 365 No 

Integrations

BIOVIA Yes 
KNIME Analytics Platform Yes 
Microsoft 365 Yes 

Pricing Details

No price information available.
Free Trial No 
Free Version No 

Pricing Details

No price information available.
Free Trial Yes 
Free Version Yes 

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 Yes 
Mac Yes 
Linux Yes 
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 Yes 
Live Training (Online) Yes 
In Person Yes 

Vendor Details

Company Name

Dassault Systèmes

Founded

1981

Country

France

Website

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

Vendor Details

Company Name

Collaborative Drug Discovery

Founded

2004

Country

United States

Website

www.collaborativedrug.com

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

Chemical

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

ELN

Lab Inventory Management

Barcode Scanning No 
Expiration Date Management No 
Purchasing No 
Reorder Management No 
Sample Management No 
Supply Management No 
Usage Tracking No 
Vendor Management No 

LIMS

Audit Trail Yes 
Certificates of Analysis No 
Data Import / Export Yes 
Electronic Laboratory Notebook Yes 
Inventory Management Yes 
Lab Instrument Interface Yes 
Reporting & Statistics Yes 
Sample Tracking Yes 
Specification Management No 
Workflow Management Yes 

Medical Lab

Audit Trail No 
Data Analysis Auditing No 
Data Security Yes 
EMR Interface No 
Fax Management No 
Lab Instrument Interface No 
Multi-Location Printing No 
Online Instrumentation No 
Physician Test Panels No 
Procedure-Based Billing No 
Sample Tracking Yes 

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