Enhanced Sampling for MD simulations
1
Conda
0
Conda is a popular package management system. This tutorial introduces you to Conda and walks you through managing Python, your environment, and packages.
Electric field analyses for molecular simulations
0
Tool to compute electric fields from molecular simulations
Recommended Libraries for Cyberinfrastructure Users Developing Jupyter Notebooks
0
This repository contains information about Jupyter Widgets and how they can be used to develop interactive workflows, data dashboards, and web applications that can be run on HPC systems and science gateways. Easy to build web applications are not only useful for scientists. They can also be used by software engineers and system admins who want to quickly create tools tools for file management and more!
Building Anaconda Navigator applications
0
This tutorial explains how to create an Anaconda Navigator Application (app) for JupyterLab. It is intended for users of Windows, macOS, and Linux who want to generate an Anaconda Navigator app conda package from a given recipe. Prior knowledge of conda-build or conda recipes is recommended.