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48 та иш

Иш: Accurate classification of materials with elEmBERT: Element embeddings for chemical benchmarks

  1. Scikit-learn: Machine Learning in Python

    PedregosaFabian, VaroquauxGaël, GramfortAlexandre +13

    Мақола20116 иқтибос
    ABI
  2. MoleculeNet: a benchmark for molecular machine learning

    Zhenqin Wu, Bharath Ramsundar, Evan N. Feinberg +5

    Мақола20176 иқтибос
    ABI
  3. Crystallography Open Database – an open-access collection of crystal structures

    S. Gražulis, Daniel Chateigner, Robert T. Downs +7

    Мақола20094 иқтибос
    ABI
  4. Applications of machine learning in drug discovery and development

    Jessica Vamathevan, Dominic A. Clark, Paul Czodrowski +8

    Шарҳ мақола20194 иқтибос
    ABI
  5. Machine Learning for Catalysis Informatics: Recent Applications and Prospects

    Takashi Toyao, Zen Maeno, Satoru Takakusagi +3

    Мақола20194 иқтибос
    ABI
  6. Predicting the state of charge and health of batteries using data-driven machine learning

    Man‐Fai Ng, Jin Zhao, Qingyu Yan +2

    Мақола20204 иқтибос
    ABI
  7. Efficient Estimation of Word Representations in Vector Space

    Tomáš Mikolov, Kai Chen, Greg S. Corrado +1

    Препринт20133 иқтибос
    ABI
  8. On representing chemical environments

    Albert P. Bartók, Risi Kondor, Gábor Cśanyi

    Мақола20133 иқтибос
    ABI
  9. Machine-learning guided discovery of a new thermoelectric material

    Yuma Iwasaki, Ichiro Takeuchi, Valentin Stanev +10

    Мақола20193 иқтибос
    ABI
  10. The rise of the X-ray atomic pair distribution function method: a series of fortunate events

    Simon J. L. Billinge

    Мақола20193 иқтибос
    ABI
  11. Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals

    Chi Chen, Weike Ye, Yunxing Zuo +2

    Мақола20193 иқтибос
    ABI
  12. Machine learning assisted materials design and discovery for rechargeable batteries

    Yue Liu, Biru Guo, Xinxin Zou +2

    Мақола20203 иқтибос
    ABI
  13. Molecular Mechanics-Driven Graph Neural Network with Multiplex Graph for Molecular Structures

    Shuo Zhang, Yang Liu, Lei Xie

    Препринт20203 иқтибос
    ABI
  14. Unified representation of molecules and crystals for machine learning

    Haoyan Huo, Matthias Rupp

    Мақола20223 иқтибос
    ABI
  15. Benchmarking graph neural networks for materials chemistry

    Victor Fung, Jiaxin Zhang, Eric Juarez +1

    Мақола20212 иқтибос
    ABI