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Professor Computational Chemistry of Nanomaterials
APDFT. APDFT calculates quantumchemical results for many molecules at once.
14APHF. Arbitrary precision Hartree-Fock
3contextshare. Simple interface for numpy arrays in multiprocessing contexts.
3bookkeeper. Data management scripts
2mlscheduling. Jupyter Notebook
1tsdb. Jupyter Notebook
1systematic_basis. Python
1planarity. Jupyter Notebook
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