Average Ratings 0 Ratings
Average Ratings 0 Ratings
Description
GROMACS is an open-source software suite that excels in high-performance molecular dynamics and analysis of outputs. This adaptable tool is capable of simulating the Newtonian equations of motion for systems ranging from hundreds to millions of particles, emphasizing materials modeling, biomolecular simulations, and particle-based systems. Although GROMACS is primarily aimed at biochemical molecules like proteins, lipids, and nucleic acids—which often exhibit complex bonded interactions—its remarkable speed in computing nonbonded interactions renders it beneficial for studying non-biological systems, including polymers. The software is capable of modeling particle ensembles in various states, including liquid, solid, and gas, and it accommodates a diverse array of molecular dynamics workflows, from fundamental energy minimization and equilibration to in-depth production simulations and trajectory analysis. Furthermore, GROMACS continues to evolve, incorporating new features and enhancements that broaden its applicability across different scientific disciplines.
Description
MolKraft is an online chemistry tool designed for the creation, examination, and documentation of molecular structures. With its 2D editor, users can convert chemical structures into interactive 3D models that include measurements and visual representations of molecular surfaces. The application offers a variety of features such as a comprehensive chemical library, a periodic table, calculated molecular properties, formal charge assessments, stereocenter identification, InChI generation, reaction quantity calculations, equation balancing, and evaluations of atom economy. The free version of MolKraft provides estimates for 1H and 13C NMR shifts using established increment rules, while paid subscriptions unlock advanced features including proprietary models for additional nuclei, on-device IUPAC naming, pKa estimations, molecular orbital analysis, image-to-structure conversion, and support for multi-step reaction pathways. Users can conveniently export their structures and drawings for inclusion in reports and academic publications, while also adhering to specific journal formatting styles. Targeted towards chemistry students, educators, researchers, and professional chemists, MolKraft serves a diverse audience in educational institutions, research organizations, and corporate environments. Moreover, it operates entirely within a web browser, eliminating the need for installation, which enhances its accessibility for users.
API Access
Has API
No
API Access
Has API
No
Integrations
Microsoft PowerPoint
No
Microsoft Word
No
Pricing Details
Free
Free Trial
No
Free Version
Yes
Pricing Details
$0
MolKraft offers a free plan and a 14-day trial of every feature. Academic licenses cost $49/year; Professional licenses cost $149/year or $15/month; Lab licenses cost $1,299/year for up to 10 seats; school licenses cost $99/teacher/year; and campus licenses start at $600/year. Prices in India are listed in rupees and are subject to GST. During the private beta, paid prices are suggested, and payments are scheduled to open at public launch.
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
No
Mac
No
Linux
No
Chromebook
No
Customer Support
Business Hours
No
Live Rep (24/7)
No
Online Support
Yes
Customer Support
Business Hours
No
Live Rep (24/7)
No
Online Support
Yes
Types of Training
Training Docs
Yes
Webinars
Yes
Live Training (Online)
No
In Person
No
Types of Training
Training Docs
Yes
Webinars
No
Live Training (Online)
No
In Person
No
Vendor Details
Company Name
GROMACS
Country
United States
Website
www.gromacs.org
Vendor Details
Company Name
Mehra Holdings
Founded
1992
Country
India
Website
molkraft.com