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
QSimulate presents an array of quantum simulation platforms that harness the principles of quantum mechanics to address intricate, large-scale challenges in life sciences and materials science. The QSP Life platform introduces innovative quantum-enhanced techniques for drug discovery and optimization, facilitating pioneering quantum simulations of ligand-protein interactions that are relevant throughout the entire computational drug discovery journey. Meanwhile, the QUELO platform enables hybrid quantum/classical free energy calculations, empowering users to conduct relative free energy assessments via the free energy perturbation (FEP) method. Furthermore, QSimulate's advancements enable significant progress in quantum mechanics/molecular mechanics (QM/MM) simulations tailored for extensive protein modeling. In the realm of materials science, the QSP Materials platform opens up quantum mechanical simulations to a broader audience, allowing experimentalists to streamline complex workflows without requiring specialized expertise, ultimately fostering greater innovation in the field. This democratization of technology marks a pivotal shift in how researchers can approach and solve scientific problems.
API Access
Has API
No
API Access
Has API
No
Integrations
No details available.
Integrations
No details available.
Pricing Details
Free
Free Trial
No
Free Version
Yes
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
No
Live Rep (24/7)
No
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)
No
In Person
No
Types of Training
Training Docs
Yes
Webinars
No
Live Training (Online)
Yes
In Person
Yes
Vendor Details
Company Name
GROMACS
Country
United States
Website
www.gromacs.org
Vendor Details
Company Name
QSimulate
Country
United States
Website
qsimulate.com/home