7 projects
blackfish
Opinionated utilities for computational chemistry research.
orcastrator
ORCA high-throughput pipeline orchestrator
orca-studio
A Python toolkit for parsing, analyzing, and visualizing ORCA quantum chemistry calculations
qcdb
Knowledge management app to interface with quantum chemical calculations
morca
marimo tools for ORCA calculations
cotwo
Simple visualizer for molecules and isosurfaces with Plotly
serde-xyz
Serialize and deserialize molecular structure .xyz files.
