Skip to content
main
Switch branches/tags
Code

Latest commit

 

Git stats

Files

Permalink
Failed to load latest commit information.
Type
Name
Latest commit message
Commit time
 
 
 
 
 
 
src
 
 
 
 
 
 
 
 
 
 
 
 

CANDO

Computer Aided Nanostructure Design and Optimization

Cando is an open-source, computational chemistry environment for building and designing functional molecules and materials.

Building Cando

Docker Image

The fastest method to start using CANDO is to download the CANDO Docker image from DockerHub or if you already have Docker installed:

docker pull thirdlaw/cando

Once downloaded, simply run:

docker run -it -p 8888:8888 thirdlaw/cando

and open a web-browser (Firefox is reccomended) at 0.0.0.0:8888

Ubuntu 18.X

A CANDO binary can be downloaded from ThirdLaw Technologies LLC.

To build CANDO on your native system, please see the state of dependencies for various installations on the Wiki.

CANDO + Jupyter Demonstrations

Several JupyterLab notebooks that demonstrate how CANDO can be used in the realm of computational chemustry can be found in CANDO-demos.

To run JupyterLab and start a demo:

  1. run /opt/clasp/bin/cando-jupyter

  2. copy and paste the provided link into a web browser (Firefox is recommended).

Video Tutorials

For up to date video demos and tutorials please subscribe and like our videos on YouTube.

Thermodynamic integration using a pre-build ligand library

Sketching molecules for thermodynamic integration calculations

Running CANDO calculation jobs inside a Docker image

About

Cando chemistry language

Resources

Releases

No releases published

Packages

No packages published