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tag: quantum_chemistry
2020.10.26
PubChemQC PM6: Data Sets of 221 Million Molecules with Optimized Molecular Geometries and Electronic Properties
PubChemQC PM6: Data Sets of 221 Million Molecules with Optimized Molecular Geometries and Electronic Properties
dataset
,
quantum_chemistry
,
PubChemQC
2020.09.08
PubChemQC PM6 Datasets: Large Scale Datasets of Semi-Empirical Quantum Chemical Calculations
PubChemQC PM6 Datasets: Large Scale Datasets of Semi-Empirical Quantum Chemical Calculations
dataset
,
quantum_chemistry
,
PubChemQC