LSDMap

Locally-Scaled Diffusion Maps from molecular dynamics trajectories

Status: Pre-Alpha

Brought to you by: cclementi, ibethune, wenweizheng

Downloads: 0 This Week

Last Update: 2016-11-29

Get an email when there's a new version of LSDMap

Linux

LSDMap is a set of Fortran90 codes parallelised with MPI for the calculation of Locally Scaled Diffusion Maps. The eigenvectors of the diffusion matrix can be used to form a small set of reaction coordinates describing the behaviour of a high-dimensional data set such as an equilibrium MD trajectory.

Project Samples

LSDMap: Free energy landscape of Beta3s

LSDMap: Free energy landscape of Alanine-12

Project Activity

See All Activity >

Follow LSDMap

LSDMap Web Site

Other Useful Business Software

Add Two Lines of Code. Get Full APM. Icon

Add Two Lines of Code. Get Full APM.

AppSignal installs in minutes and auto-configures dashboards, alerts, and error tracking.

Works out of the box for Rails, Django, Express, Phoenix, and more. Monitoring exceptions and performance in no time.

Start Free

Rate This Project

Login To Rate This Project

User Reviews

Be the first to post a review of LSDMap!

Additional Project Details

Operating Systems

Languages

English

Intended Audience

Science/Research

User Interface

Command-line

Programming Language

Registered

2012-05-23

Report inappropriate content

Go From AI Idea to AI App Fast

One platform to build, fine-tune, and deploy ML models. No MLOps team required.

Access Gemini 3 and 200+ models. Build chatbots, agents, or custom models with built-in monitoring and scaling.

Try Free

Recommended Projects

DeepMozart
Audio generation using diffusion models
Diffusion Bee
Diffusion Bee is the easiest way to run Stable Diffusion locally
4DiCeS
4-Dimensional Cell Simulator (4DiCeS) is a framework on hybrid (stochastic and deterministic) modeling and simulation of (whole) cell environments in 4D. The framework may incorporate any reaction and diffusion algorithms applicable in a 4D grid layout.
CamShaft
Calculation of camshafts - allows to define a camshaft profile on the set trajectory which should provide the given mechanism. The trajectory can be set graphically, co-ordinates or function.
Improved Diffusion
Release for Improved Denoising Diffusion Probabilistic Models