MolKraft

MolKraft

Mehra Holdings
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+

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About

ESPResSo, the Extensible Simulation Package for Research on Soft Matter, is a highly versatile open source simulation package for performing and analyzing scientific molecular dynamics and Monte Carlo many-particle simulations. It is designed as a universal tool for simulating a variety of soft matter systems, especially coarse-grained atomistic or bead-spring models used in physics, chemistry, molecular biology, and process engineering. ESPResSo can be used to simulate polymers, liquid crystals, colloids, polyelectrolytes, ferrofluids, gels, biological systems, DNA, lipid membranes, bacterial motion, and super-capacitors. In coarse-grained models, a group of atoms or molecules is treated as a single bead, allowing researchers to investigate larger time and length scales than would be practical with fully atomistic simulations. ESPResSo supports classical molecular dynamics simulations in different statistical ensembles.

About

MolKraft is a browser-based chemistry application for drawing, exploring and documenting molecules. Its 2D editor turns structures into rotatable 3D models with measurements and molecular surfaces. Tools include a chemical library and periodic table, calculated properties, formal charges, stereocenters, InChI, reaction quantities, equation balancing and atom economy. The free plan estimates 1H and 13C NMR shifts using increment rules; paid licenses add MolKraft's own models for additional nuclei, on-device IUPAC naming, pKa estimates, molecular orbitals, picture-to-structure conversion and multi-step reaction schemes. Users can export drawings and structure files for reports and publications, and apply journal drawing styles. MolKraft is intended for chemistry students, teachers, researchers and working chemists in schools, universities, research groups and companies. It runs in a web browser without installation.

Platforms Supported

Windows Not Supported
Mac Supported
Linux Supported
Cloud Not Supported
On-Premises Not Supported
iPhone Not Supported
iPad Not Supported
Android Not Supported
Chromebook Not Supported

Platforms Supported

Windows Not Supported
Mac Not Supported
Linux Not Supported
Cloud Supported
On-Premises Not Supported
iPhone Not Supported
iPad Not Supported
Android Not Supported
Chromebook Not Supported

Audience

Physicists, chemists, biophysicists, and developers who need a Python-controlled package for coarse-grained molecular dynamics

Audience

Chemistry students, teachers, researchers and working chemists at universities, schools and companies.

Support

Phone Support Not Supported
24/7 Live Support Not Supported
Online Supported

Support

Phone Support Not Supported
24/7 Live Support Not Supported
Online Supported

API

Offers API Not Supported

API

Offers API Not Supported

Screenshots and Videos

Screenshots and Videos

Pricing

Free
Free Version Supported
Free Trial Not Supported

Pricing

$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 Supported
Free Trial Supported

Reviews/Ratings

Overall 0.0 / 5
ease 0.0 / 5
features 0.0 / 5
design 0.0 / 5
support 0.0 / 5

This software hasn't been reviewed yet. Be the first to provide a review:

Review this Software

Reviews/Ratings

Overall 0.0 / 5
ease 0.0 / 5
features 0.0 / 5
design 0.0 / 5
support 0.0 / 5

This software hasn't been reviewed yet. Be the first to provide a review:

Review this Software

Training

Documentation Supported
Webinars Not Supported
Live Online Not Supported
In Person Not Supported

Training

Documentation Supported
Webinars Not Supported
Live Online Not Supported
In Person Not Supported

Company Information

ESPResSo
United States
espressomd.org/wordpress/

Company Information

Mehra Holdings
Founded: 1992
India
molkraft.com

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Categories

Categories

Molecular Modeling Supported

Integrations

Microsoft PowerPoint Not Supported
Microsoft Word Not Supported
Python Supported

Integrations

Microsoft PowerPoint Supported
Microsoft Word Supported
Python Not Supported
Claim ESPResSo and update features and information
Claim ESPResSo and update features and information
Claim MolKraft and update features and information
Claim MolKraft and update features and information