GDB-9-G4(MP2) and VQM24 Data and Models
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"GDB_9_G4MP2" contains nuclear charges, nuclear coordinates, and total atomization energies from GDB-9-G4(MP2) dataset "VQM24" contains nuclear charges, nuclear coordinates, and total atomization energies from VQM24 dataset "Trained_SchNet_models" contains model checkpoints of trained SchNet models
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Zenodo创建时间：
2025-09-25
