Pinned Repositories
mpwaller
paper-3-non-p1
Data storage for paper 3 (non-P1 space group)
paper-4-altlocs
Data storage for paper 4 (alternate locations)
QR-6
Find PDB entries with interesting features
qr-plugin-yoink
Yoink files needed for the clustering QM of qr-core
qrefine
Quantum Refinement Module
decider
Density Functional Selection App
reaktor
Quantum chemical reaction prediction app
swy
Hybrid Metaheuristic Optimizer
yoink
An interaction based partitioning API