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.
A high-performance Python library for simulating Diffusion-Limited Aggregation (DLA) with Numba JIT acceleration, parallel rendering, and automated fractal dimension analysis of dendritic growth patterns.
minimal ring model with algebraic frustration floor
π Analysis of a system with three species in a competitive loop.
PySFBox β Scheutjens-Fleer lattice SCF in pure Python/NumPy, input/output compatible with sfbox/Namics
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