/tljh-rxns

Plugin for TLJH for computational chemistry

Primary LanguagePython

Rxns Stack Plugin for The Littlest Jupyter Hub

A plugin for The Littlest JupyterHub that installs packages useful for chemistry.

Installed software

  1. NUMFocus: Scipy, numpy, matplotlib and pandas
  2. Machine Learning: scikit-learn, pytorch, tensorflow
  3. Chemistry: rdkit
  4. Other: graph-tool