pyMDMix

This python package aims to help people set up and analyze molecular dynamics simulations in aqueous-organic solvent mixtures. See D. Alvarez-Garcia et al. Journal of Medicinal Chemistry, 2014.

Project Samples

Project Activity

See All Activity >

License

GNU General Public License version 3.0 (GPLv3)

Follow pyMDMix

pyMDMix Web Site

Other Useful Business Software

Paessler: Easy to Use With Enterprise Power. Free Trial

A low-code dashboard makes monitoring intuitive for any admin, while scripting and custom sensors give experts full control.

You shouldn't have to choose between a monitoring tool that's easy to use and one that's powerful enough for a complex environment. PRTG's low-code interface lets any admin build dashboards, set alerts and monitor devices without scripting, while custom sensors and full API access are there when your team needs deeper control. One platform, no compromise. Download a free 30-day trial now.

Get Free Download

Rate This Project

User Reviews

Be the first to post a review of pyMDMix!

Additional Project Details

Intended Audience

Science/Research

Programming Language

Python

Related Categories

Python Simulation Software, Python Chemistry Software, Python Molecular Mechanics Software

Registered

2013-07-16

Similar Business Software

Innoslate

SPEC Innovations’ flagship model-based systems engineering solution can help your team reduce time-to-market, cost, and risk on even some of the most complex systems. This cloud or on-premise application uses a modern web browser, with an intuitive graphical user interface. Innoslate’s full...

See Software
SDS Manager

SDS Manager is a leading provider of Safety Data Sheet (SDS) management systems, offering one of the largest SDS databases with over 14 million documents available in 25 languages. With SDS Manager, employees can easily access Safety Data Sheets directly from their mobile devices by scanning...

See Software
Azore CFD

AzoreCFD has been a trusted, cutting-edge software tool since 2007. Azore focuses on analysis, design, engineering, and on obtaining precise, and quick results. Customers use Azore for applications that include: industrial flows, aerodynamics, thermal mixing, conjugate heat transfer, gas species...

See Software
QBench

QBench is a cloud-based Laboratory Information Management System (LIMS) designed to help laboratories manage samples, workflows, data, inventory, reporting, quality processes, and client interactions in one platform. Labs use QBench to manage laboratory operations from order placement and...

See Software
HSI Donesafe

HSI Donesafe is a no-code, cloud-based EHS software that simplifies safety, compliance, and risk management, transforming complex processes into user-friendly workflows. Trusted by industries worldwide, Donesafe allows organizations to track, manage, and report on essential EHS functions from...

See Software
Infor M3

Efficiently executing the complex processes of enterprise manufacturers and distributors. Infor M3 is a cloud-based, manufacturing and distribution ERP system that leverages the latest technologies to provide an exceptional user experience and powerful analytics in a multicompany, multicountry,...

See Software