Stars
A document for the Living Journal of Computational Molecular Science (LiveCoMS) which describes basic training for molecular simulations (oriented towards molecular dynamics (MD)), providing some t…
chrjabs / Grape-Academic-Theme
Forked from naye0ng/Grape-Theme🍇 Grape-Academic-Theme: A modified version of the Jekyll Grape-Theme for an academic Portfolio. (Can include a blog)
A minimal Jekyll Theme to host your resume (CV) on GitHub with a few clicks.
Scripts I create or borrow that make my life easier
Apache Druid: a high performance real-time analytics database.
Comparison benchmarks between public force fields and Open Force Field Initiative force fields
Easily generate flowcharts and diagrams from text ⿻
Accelerating new GitHub Actions workflows
Syntax checking hacks for vim
A vim plugin to display the indention levels with thin vertical lines
Transforms literary/philosophical texts into patent applications
A collection of ORM-style clients to public patent data
Learn JavaScript by adventuring around in the terminal.
Toolkit to aid in the analysis of lipid bilayer molecular simulation trajectories.
A bot that applies OpenFF software best practices
Python-centric Cookiecutter for Molecular Computational Chemistry Packages
Educational materials for, and related to, UC Irvine's Drug Discovery Computing Techniques course (PharmSci 175/275), currently taught by David Mobley.
chemalot: a command-line cheminformatics open-source package
Best Practices article intended for LiveCoMS
Two day workshop on introductory Python and predictive modeling.
Run singularity containers on the Comet Supercomputer at San Diego Supercomputer Center
SDSC Summer Institute 2017 teaching material
A Deep Introduction to Julia for Data Science and Scientific Computing