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1. Parsers and algorithms for computational chemistry logfiles

   Python 398 177

2. Combining Psi4 and Numpy for education and development.

   Jupyter Notebook 388 169

3. Molecular frequency-dependent response properties for arbitrary operators

   Python 11 3

4. Multiple algorithms for calculating the Boys function

   Rust 4

5. Ab initio quantum chemistry in Rust from scratch

   Rust 15