Papers matching “molecular machine learning” 82
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Towards Foundational Models for Molecular Learning on Large-Scale Multi-Task Datasets2023 Zenodo (CERN European Organization for Nuclear Research) preprint Computer Science Computational Drug Discovery Methods Open access
Dominique Beaini, Shenyang Huang, Joao Alex Cunha, Zhiyi Li, Gabriela Moisescu-Pareja, Oleksandr Dymov, +20 more
0citations -
A machine learning method for the discovery of minimum marker gene combinations for cell type identification from single-cell RNA sequencing2021 Genome Research preprint Biochemistry, Genetics and Molecular Biology Single-cell and spatial transcriptomics Open access
Brian D. Aevermann, Yun Zhang, Mark A. Novotny, Mohamed Keshk, Trygve E. Bakken, Jeremy A. Miller, +4 more
96citations -
NS-Forest: A machine learning method for the objective identification of minimum marker gene combinations for cell type determination from single cell RNA sequencing2020 bioRxiv (Cold Spring Harbor Laboratory) preprint Biochemistry, Genetics and Molecular Biology Single-cell and spatial transcriptomics Open access
Brian D. Aevermann, Yun Zhang, Mark A. Novotny, Trygve E. Bakken, Jeremy A. Miller, Rebecca D. Hodge, +3 more
12citations -
A hybrid model combining evolutionary probability and machine learning leverages data-driven protein engineering2022 bioRxiv (Cold Spring Harbor Laboratory) preprint Biochemistry, Genetics and Molecular Biology Protein Structure and Dynamics Open access
Alexander-Maurice Illig, Niklas E. Siedhoff, Ulrich Schwaneberg, Mehdi D. Davari
11citations -
Next-generation phenotyping integrated in a national framework for patients with ultra-rare disorders improves genetic diagnostics and yields new molecular findings2023 medRxiv preprint Biochemistry, Genetics and Molecular Biology Genomics and Rare Diseases Open access
Axel Schmidt, Magdalena Danyel, Kathrin Grundmann, Theresa Brunet, Hannah Klinkhammer, Tzung‐Chien Hsieh, +94 more
15citations -
A symmetry-preserving and transferable representation for learning the Kohn-Sham density matrix2025 arXiv (Cornell University) preprint Materials Science Machine Learning in Materials Science Open access
Liwei Zhang, Patrizia Mazzeo, Michele Nottoli, Edoardo Cignoni, Lorenzo Cupellini, Benjamin Stamm
1citations