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Google
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BenevolentAI/guacamol
BenevolentAI/guacamol PublicBenchmarks for generative chemistry
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rxn4chemistry/rxn-chemutils
rxn4chemistry/rxn-chemutils PublicChemistry-related Python utilities used in the RXN universe
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rxn4chemistry/rxn-utilities
rxn4chemistry/rxn-utilities PublicGeneral Python utilities commonly used in the RXN universe
Python 7
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ReiherGroup/OrbitalPerturbation
ReiherGroup/OrbitalPerturbation PublicUtility for the perturbation of molecular orbitals delivered by standard quantum chemical packages
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