Dataset Groups Activity Stream QM7 The Quantum Chemistry dataset contains 7165 molecules. Each molecule is represented by the Coulomb (energy) matrix and its atomization energy. BibTex: @dataset{Ming_Lia_and_Zheng_Ma_and_Yu_Guang_Wang_and_Xiaosheng_Zhuang_2024, abstract = {The Quantum Chemistry dataset contains 7165 molecules. Each molecule is represented by the Coulomb (energy) matrix and its atomization energy.}, author = {Ming Lia and Zheng Ma and Yu Guang Wang and Xiaosheng Zhuang}, doi = {10.57702/klf8ug6q}, institution = {No Organization}, keyword = {'Atomization Energy', 'Coulomb Matrix', 'Molecules', 'Quantum Chemistry'}, month = {dec}, publisher = {TIB}, title = {QM7}, url = {https://service.tib.eu/ldmservice/dataset/qm7}, year = {2024} }
