Resources

Links and resources for group members (and whoever may find these useful):

Cheat Sheets

• GitHub Cheat Sheet
• SLURM Cheat Sheet
• SLURM Commands
• Vi Cheat Sheet
• Jupyter Notebook Cheat Sheet
• How to use Rsync
• File Permissions Explained

Learning Computational Chemistry

• CCPBioSim and CCP5 organise frequent workshops and summer schools
• Thomas Young Centre Course in Materials Modelling
• Coding workshops from software carpentries

Quantum Chemistry Tools

• Bash tools for Gaussian16

Cheminformatics

• https://chemiscope.org/
• https://github.com/joofio/py4chemoinformatics
• http://practicalcheminformatics.blogspot.com

Data visualisation and presentation

• Scientific visualisation book
• Colorblind palette
• Writing figure legends
• Guide for publication quality figures
• Betterposters
• Poster Templates
• Tips for publication-quality plots
• Matplotlib

Writing

• How to write a scientific article

Software Development

• Publishing Python packages
• Python data science book

Career Development

• Building and sustaining mentorship as a mentee
• Angela Duckworth’s grit scale
• Career simulator tool
• MyIDP self-evaluation tool