David L. Mobley's repositories
alchemical-best-practices
Best practice document for alchemical free energy calculations going to livecoms journal
benchmarkset
Benchmark sets for alchemical free energy calculations
conda-recipes
conda build recipes for the Omnia project
drug-computing
Educational materials for, and related to, UC Irvine's Drug Discovery Computing Techniques course (PharmSci 175/275), currently taught by David Mobley.
open-forcefield-data
Datasets for open forcefield parameterization and development
open-forcefield-tools
Tools for open forcefield development
reorder-PDFs
Reorder pages in a PDF which is scanned so that even pages occur first and odds afterwards. Makes pages be in correct order.
software-development
A primer on software development best practices for computational chemistry
yank-examples
Examples for use of YANK - getyank.org