Generate 1- and 2-electron integrals so that molecular quantum chemistry software can be used for model Hamiltonians.

CA-2-HCOMB is a tool for simplifying single-chain protein structures from PDB files into manageable models like various honeycombs, retaining essential information for in-depth computations. It's efficient for large datasets and machine learning, and user-friendly for research and education.

🔁 Analysis of a system with three species in a competitive loop.