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What is MolKraft?

MolKraft is an innovative online tool tailored for the design, analysis, and documentation of molecular structures in chemistry. Its intuitive 2D editor allows users to seamlessly transform chemical structures into engaging 3D models, featuring detailed measurements and visualizations of molecular surfaces. The platform boasts an extensive array of capabilities, including a robust chemical library, a periodic table, molecular property calculations, assessments of formal charges, identification of stereocenters, InChI generation, calculations for reaction quantities, equation balancing, and evaluations of atom economy. The free version offers approximations for 1H and 13C NMR shifts based on established increment rules, while those who subscribe gain access to premium features such as specialized models for additional nuclei, on-device IUPAC naming, pKa estimations, molecular orbital analyses, image-to-structure conversion, and support for complex multi-step reaction pathways. Users can easily export their molecular structures and illustrations for integration into academic reports and publications, ensuring compliance with specific journal formatting requirements. Catering to a wide range of users, including chemistry students, educators, researchers, and industry professionals, MolKraft is utilized across educational institutions, research facilities, and corporate settings. Furthermore, its operation entirely within a web browser negates the need for software installation, significantly improving accessibility for all users and allowing for effortless collaboration and sharing of molecular designs. This makes MolKraft not only a versatile educational resource but also a valuable tool for professional use in the field of chemistry.

What is GROMACS?

GROMACS is a powerful open-source software suite designed for high-performance molecular dynamics and output analysis. This versatile tool can simulate the Newtonian equations of motion for systems comprising anywhere from hundreds to millions of particles, with a strong focus on materials modeling, biomolecular simulations, and particle-based systems. While GROMACS is primarily tailored for biochemical molecules such as proteins, lipids, and nucleic acids—which often possess intricate bonded interactions—its exceptional speed in handling nonbonded interactions makes it advantageous for exploring non-biological systems, like polymers. The software adeptly models particle ensembles in a variety of states, including liquid, solid, and gas, and supports a wide range of molecular dynamics workflows, spanning from basic energy minimization and equilibration to comprehensive production simulations and trajectory analyses. As GROMACS develops, it continually integrates new features and improvements that expand its utility across various scientific fields, thereby enhancing researchers' ability to conduct complex simulations. This adaptability ensures that GROMACS remains a valuable resource for scientists exploring both biological and material systems.

Media

Media

Integrations Supported

Microsoft PowerPoint
Microsoft Word

Integrations Supported

API Availability

API Availability

Pricing Information

$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 Version
Free Trial Offered?

Pricing Information

Free
Free Version

Supported Platforms

SaaS

Supported Platforms

Windows
Mac
Linux

Customer Service / Support

Web-Based Support

Customer Service / Support

Web-Based Support

Training Options

Documentation Hub

Training Options

Documentation Hub
Webinars

Company Facts

Organization Name

Mehra Holdings

Date Founded

1992

Company Location

India

Company Website

molkraft.com

Company Facts

Organization Name

GROMACS

Company Location

United States

Company Website

www.gromacs.org

Categories and Features

Molecular Modeling

Not specified

Categories and Features

Molecular Modeling

Not specified

Particle Simulation

Not specified

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