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Molecule3D: A Benchmark for Predicting 3D Geometries from Molecular Graphs.

, , , , , , , , , и . CoRR, (2021)

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Anaëlle Maho

David F Mahon

Jacqueline Mahony

Jean Mahowald

Masoud Mahootchi

 

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A numerical evaluation of highly accurate multiple-precision arithmetic version of semidefinite programming solver: SDPA-GMP, -QD and -DD.. CACSD, стр. 29-34. IEEE, (2010)Accelerating 128-bit Floating-Point Matrix Multiplication on FPGAs., , и . FCCM, стр. 204. IEEE, (2023)OGB-LSC: A Large-Scale Challenge for Machine Learning on Graphs., , , , , и . NeurIPS Datasets and Benchmarks, (2021)A Fast Implementation of Matrix-matrix Product in Double-double Precision on NVIDIA C2050 and Application to Semidefinite Programming., , , и . ICNC, стр. 68-75. IEEE Computer Society, (2012)PubChemQC PM6: Data Sets of 221 Million Molecules with Optimized Molecular Geometries and Electronic Properties., , , и . J. Chem. Inf. Model., 60 (12): 5891-5899 (2020)High-performance general solver for extremely large-scale semidefinite programming problems., , , , , и . SC, стр. 93. IEEE/ACM, (2012)All about RICC: RIKEN Integrated Cluster of Clusters.. ICNC, стр. 27-29. IEEE Computer Society, (2011)Poster: MPACK 0.7.0: Multiple Precision Version of BLAS and LAPACK.. SC Companion, стр. 1353. IEEE Computer Society, (2012)All about RIKEN Integrated Cluster of Clusters (RICC).. Int. J. Netw. Comput., 2 (2): 206-215 (2012)Molecule3D: A Benchmark for Predicting 3D Geometries from Molecular Graphs., , , , , , , , , и . CoRR, (2021)