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Guillaume Fraux

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Journal Articles

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2021
[j4]
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  dblp key:
  - journals/mlst/GoscinskiFIC21
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  persistent URL:
  - https://dblp.org/rec/journals/mlst/GoscinskiFIC21
Alexander Goscinski, Guillaume Fraux, Giulio Imbalzano, Michele Ceriotti:
The role of feature space in atomistic learning. Mach. Learn. Sci. Technol. 2(2): 25028 (2021)
2020
[j3]
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  - journals/jcisd/FineMFC20
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  - https://dblp.org/rec/journals/jcisd/FineMFC20
Jonathan Fine, Matthew Muhoberac, Guillaume Fraux, Gaurav Chopra:
DUBS: A Framework for Developing Directory of Useful Benchmarking Sets for Virtual Screening. J. Chem. Inf. Model. 60(9): 4137-4143 (2020)
[j2]
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  - journals/jossw/FrauxCC20
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Guillaume Fraux, Rose K. Cersonsky, Michele Ceriotti:
Chemiscope: interactive structure-property explorer for materials and molecules. J. Open Source Softw. 5(51): 2117 (2020)
[j1]
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  - journals/mlst/HelfrechtCFC20
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Benjamin A. Helfrecht, Rose K. Cersonsky, Guillaume Fraux, Michele Ceriotti:
Structure-property maps with Kernel principal covariates regression. Mach. Learn. Sci. Technol. 1(4): 45021 (2020)

Informal and Other Publications

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2022
[i2]
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  dblp key:
  - journals/corr/abs-2202-01566
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  - https://dblp.org/rec/journals/corr/abs-2202-01566
Jigyasa Nigam, Guillaume Fraux, Michele Ceriotti:
Unified theory of atom-centered representations and graph convolutional machine-learning schemes. CoRR abs/2202.01566 (2022)
2020
[i1]
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  dblp key:
  - journals/corr/abs-2002-05076
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  - https://dblp.org/rec/journals/corr/abs-2002-05076
Benjamin A. Helfrecht, Rose K. Cersonsky, Guillaume Fraux, Michele Ceriotti:
Structure-Property Maps with Kernel Principal Covariates Regression. CoRR abs/2002.05076 (2020)

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