deep-ctr-prediction产品(qiaoguan/deep-ctr-prediction)
CTR prediction models based on deep learning(基于深度学习的广告推荐CTR预估模型)
Python★ 938
Visualization Analysis of Weak Interactions in Chemical Systems论文
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Interaction Region Indicator: A Simple Real Space Function Clearly Revealing Both Chemical Bonds and Weak Interactions**论文
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Holistic prediction of enantioselectivity in asymmetric catalysis论文
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Using SMILES strings for the description of chemical connectivity in the Crystallography Open Database论文
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MMD GAN: Towards Deeper Understanding of Moment Matching Network论文
arXiv (Cornell University)2017引用: 231
Conformation Generation: The State of the Art论文
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Boson sampling for molecular vibronic spectra论文
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Why is Tanimoto index an appropriate choice for fingerprint-based similarity calculations?论文
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Unifying General and Segmented Contracted Basis Sets. Segmented Polarization Consistent Basis Sets论文
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Similarity maps - a visualization strategy for molecular fingerprints and machine-learning methods论文
Journal of Cheminformatics2013引用: 248
Nobel Lecture: Superposition, entanglement, and raising Schrödinger’s cat论文
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Exploring Chemical Space for Drug Discovery Using the Chemical Universe Database论文
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ACPYPE - AnteChamber PYthon Parser interfacE论文
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Revealing Non‐covalent Interactions in Molecular Crystals through Their Experimental Electron Densities论文
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Mapping allostery through the covariance analysis of NMR chemical shifts论文
Proceedings of the National Academy of Sciences2011引用: 226
Open Babel: An open chemical toolbox论文
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Computational Prediction of<sup>1</sup>H and<sup>13</sup>C Chemical Shifts: A Useful Tool for Natural Product, Mechanistic, and Synthetic Organic Chemistry论文
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Entanglement of Two Individual Neutral Atoms Using Rydberg Blockade论文
Physical Review Letters2010引用: 718
Molecular Shape and Medicinal Chemistry: A Perspective论文
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