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Иш: Accurate classification of materials with elEmBERT: Element embeddings for chemical benchmarks
Scikit-learn: Machine Learning in Python
PedregosaFabian, VaroquauxGaël, GramfortAlexandre +13
Мақола20116 иқтибосABIMoleculeNet: a benchmark for molecular machine learning
Zhenqin Wu, Bharath Ramsundar, Evan N. Feinberg +5
Мақола20176 иқтибосABIApplications of machine learning in drug discovery and development
Jessica Vamathevan, Dominic A. Clark, Paul Czodrowski +8
Шарҳ мақола20194 иқтибосABIMachine Learning for Catalysis Informatics: Recent Applications and Prospects
Takashi Toyao, Zen Maeno, Satoru Takakusagi +3
Мақола20194 иқтибосABIEfficient Estimation of Word Representations in Vector Space
Tomáš Mikolov, Kai Chen, Greg S. Corrado +1
Препринт20133 иқтибосABIOn representing chemical environments
Albert P. Bartók, Risi Kondor, Gábor Cśanyi
Мақола20133 иқтибосABIMachine-learning guided discovery of a new thermoelectric material
Yuma Iwasaki, Ichiro Takeuchi, Valentin Stanev +10
Мақола20193 иқтибосABIGraph Networks as a Universal Machine Learning Framework for Molecules and Crystals
Chi Chen, Weike Ye, Yunxing Zuo +2
Мақола20193 иқтибосABIMachine learning assisted materials design and discovery for rechargeable batteries
Yue Liu, Biru Guo, Xinxin Zou +2
Мақола20203 иқтибосABIBenchmarking graph neural networks for materials chemistry
Victor Fung, Jiaxin Zhang, Eric Juarez +1
Мақола20212 иқтибосABI