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chemistry

chemistry

updated Feb 27
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  • nabla^2DFT: A Universal Quantum Chemistry Dataset of Drug-Like Molecules and a Benchmark for Neural Network Potentials

    Paper • 2406.14347 • Published Jun 20, 2024 • 102

  • SamsungSAILMontreal/Conjugated-xTB_2M_molecules

    Viewer • Updated Feb 25 • 2.9M • 57 • 3
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