Molecular Fingerprints: Implementation of a pairwise distribution based molecular representation
Classifying Molecular Configurations/Representations
Data Wrangling Projects
So these are small projects from grad school that I still end-up using and repurposing…
2020
EFPMC: A Monte Carlo implementation with the EFP Method
Overcoming Energy Barriers
Iowa Plots
Data Wrangling, Data Science, Messy Data