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2024
[i4]
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  - journals/corr/abs-2402-08708
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  - https://dblp.org/rec/journals/corr/abs-2402-08708
Rokas Elijosius, Fabian Zills, Ilyes Batatia, Sam Walton Norwood, Dávid Péter Kovács, Christian Holm, Gábor Csányi:
Zero Shot Molecular Generation via Similarity Kernels. CoRR abs/2402.08708 (2024)
2022
[c1]
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  - conf/nips/BatatiaKSOC22
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  - https://dblp.org/rec/conf/nips/BatatiaKSOC22
Ilyes Batatia, Dávid Péter Kovács, Gregor N. C. Simm, Christoph Ortner, Gábor Csányi:
MACE: Higher Order Equivariant Message Passing Neural Networks for Fast and Accurate Force Fields. NeurIPS 2022
[i3]
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  - journals/corr/abs-2205-06643
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Ilyes Batatia, Simon L. Batzner, Dávid Péter Kovács, Albert Musaelian, Gregor N. C. Simm, Ralf Drautz, Christoph Ortner, Boris Kozinsky, Gábor Csányi:
The Design Space of E(3)-Equivariant Atom-Centered Interatomic Potentials. CoRR abs/2205.06643 (2022)
[i2]
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  - journals/corr/abs-2206-07697
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Ilyes Batatia, Dávid Péter Kovács, Gregor N. C. Simm, Christoph Ortner, Gábor Csányi:
MACE: Higher Order Equivariant Message Passing Neural Networks for Fast and Accurate Force Fields. CoRR abs/2206.07697 (2022)
[i1]
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  - journals/corr/abs-2210-01705
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James P. Darby, Dávid Péter Kovács, Ilyes Batatia, Miguel A. Caro, Gus L. W. Hart, Christoph Ortner, Gábor Csányi:
Tensor-reduced atomic density representations. CoRR abs/2210.01705 (2022)

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