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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

Nanome is a collaborative platform for molecular visualization and drug discovery. Teams load protein and small-molecule structures and review them together in 3D, in a web browser or in an XR headset (Meta Quest 3 and 3S, Apple Vision Pro, Samsung Galaxy XR). Everyone in a session sees the same structure at the same time, so a chemist in a headset and a colleague on a laptop can point at the same pocket from different cities. MARA, the AI copilot built into Nanome, runs docking, co-folding, electrostatics and ADMET estimates from plain-English requests, drawing on 300+ integrated scientific tools, and returns structures you can inspect in 3D. Nanome opens PDB, mmCIF, SDF, MOL2, PyMOL and Maestro files and connects to Schrodinger LiveDesign, OpenEye, Cresset Flare, CDD Vault, KNIME and Jupyter. Enterprise deployments run single-tenant or on-premises. Free web seat; 14-day full trial, no credit card.

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 Supported
Mac Not Supported
Linux Not Supported
Cloud Supported
On-Premises 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

Medicinal chemists, computational chemists, structural biologists, and educators in pharma, biotech, and academia

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

No images available

Pricing

Free
Free Version Supported
Free Trial Not Supported

Pricing

$20.83/month/user (academic)
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 Supported
Live Online Supported
In Person Not Supported

Company Information

ESPResSo
United States
espressomd.org/wordpress/

Company Information

Nanome
Founded: 2015
United States
nanome.ai

Alternatives

Alternatives

No Alternatives
NAMD

NAMD

Theoretical and Computational Biophysics Group
LIGGGHTS

LIGGGHTS

CFDEM

Categories

Categories

Drug Discovery Supported
Molecular Modeling Supported

Integrations

Python Supported

Integrations

Python Not Supported
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Claim ESPResSo and update features and information
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