Interactive MCXLAB tutorial on Google Colab

[fangq]

Check the latest MCXLAB tutorial written in interactive the Jupyter notebook format, running on Google Colab hardware:

https://colab.research.google.com/github/fangq/mcx/blob/master/mcxlab/tutorials/mcxlab_getting_started.ipynb

by default, when running the first code block, the notebook requests a NVIDIA GPU node to run all MCXLAB simulations, however, if you receive an error that no GPU node available, you can still run all tutorial codes by executing the 2nd code block - it downloads the OpenCL version of MCXLAB (mcxlabcl) and run all simulations on the allocated CPU via OpenCL. It is much slower, but at least it is sufficient for tutorial purposes. mcxlab and mcxlabcl share nearly identical input/output formats.

the static notebook can also be rendered at

https://github.com/fangq/mcx/blob/master/mcxlab/tutorials/mcxlab_getting_started.ipynb

follow our announcement on Twitter: https://twitter.com/FangQ/status/1651700498570031104