NAMD

NAMD

Theoretical and Computational Biophysics Group
NAMD QSimulate

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NAMD:

About

NAMD is a parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems. Based on Charm++ parallel objects, it scales from desktop and laptop computers to high-end parallel platforms, hundreds of cores for typical simulations, and beyond 500,000 cores for the largest simulations. NAMD is built for researchers who need to simulate large molecular systems efficiently while preserving compatibility with widely used molecular modeling workflows. It uses the popular molecular graphics program VMD for simulation setup and trajectory analysis, and it is file-compatible with AMBER, CHARMM, and X-PLOR. It is designed to support biomolecular simulations involving proteins, membranes, nucleic acids, solvents, ions, and other molecular systems where atomic interactions and time-dependent motion need to be studied in detail.
QSimulate:

About

QSimulate offers a suite of quantum simulation platforms that leverage quantum mechanics to solve complex, industrial-scale problems in life sciences and materials science. The QSP Life platform provides unique quantum-powered methods for drug discovery and optimization, enabling first-of-a-kind quantum simulations of ligand-protein interactions applicable throughout the computational drug discovery process. The QUELO platform performs hybrid quantum/classical free energy calculations, offering users the ability to run relative free energy calculations using the free energy perturbation (FEP) approach. Additionally, QSimulate's technology enables groundbreaking advances in quantum mechanics/molecular mechanics (QM/MM) simulations for large protein modeling. For materials science, the QSP Materials platform democratizes quantum mechanical simulations, allowing experimentalists to automate complex workflows without the need for specialization.
NAMD:

Platforms Supported

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

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
NAMD:

Audience

Biophysicists, biologists, and simulation researchers requiring a biomolecular simulation tool for desktops, clusters, GPUs, and supercomputers
QSimulate:

Audience

Computational chemists and materials scientists in search of a solution to accelerate drug discovery and materials development through automated, scalable, and high-fidelity modeling
NAMD:

Support

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

Support

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

API

Offers API Not Supported
QSimulate:

API

Offers API Not Supported
NAMD:

Screenshots and Videos

QSimulate:

Screenshots and Videos

NAMD:

Pricing

Free
Free Version Supported
Free Trial Not Supported
QSimulate:

Pricing

No information available.
Free Version Not Supported
Free Trial Not Supported
NAMD:

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
QSimulate:

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
NAMD:

Training

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

Training

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

Company Information

Theoretical and Computational Biophysics Group
Founded: 2006
United States
www.ks.uiuc.edu/Research//namd/
QSimulate:

Company Information

QSimulate
United States
qsimulate.com/home
NAMD:

Alternatives

QSimulate:

Alternatives

InQuanto

InQuanto

Quantinuum
NAMD:
QSimulate:
QX Simulator

QX Simulator

Quantum Computing Simulation
NAMD:
QSimulate:
Aurora Drug Discovery

Aurora Drug Discovery

Aurora Fine Chemicals
NAMD:
Ascalaph Designer

Ascalaph Designer

Agile Molecule
QSimulate:
NAMD:
QSimulate:
LIQUi|>

LIQUi|>

Microsoft
NAMD:

Categories

QSimulate:

Categories

Life Sciences Supported
Materials Science Supported
Quantum Computing Supported
NAMD:

Integrations

No info available.
QSimulate:

Integrations

No info available.
NAMD:
Claim NAMD and update features and information
Claim NAMD and update features and information
QSimulate:
Claim QSimulate and update features and information
Claim QSimulate and update features and information