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Hölzer, Christian, Oerder, Rick, Grimme, Stefan, Hamaekers, Jan (2024) ConfRank: Improving GFN-FF Conformer Ranking with Pairwise Training. Journal of Chemical Information and Modeling, 64 (23). doi:10.1021/acs.jcim.4c01524

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Reference TypeJournal (article/letter/editorial)
TitleConfRank: Improving GFN-FF Conformer Ranking with Pairwise Training
JournalJournal of Chemical Information and Modeling
AuthorsHölzer, ChristianAuthor
Oerder, RickAuthor
Grimme, StefanAuthor
Hamaekers, JanAuthor
Year2024 (December 9)Volume64
Issue23
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/acs.jcim.4c01524Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID17754611Long-form Identifiermindat:1:5:17754611:4
GUID0
Full ReferenceHölzer, Christian, Oerder, Rick, Grimme, Stefan, Hamaekers, Jan (2024) ConfRank: Improving GFN-FF Conformer Ranking with Pairwise Training. Journal of Chemical Information and Modeling, 64 (23). doi:10.1021/acs.jcim.4c01524
Plain TextHölzer, Christian, Oerder, Rick, Grimme, Stefan, Hamaekers, Jan (2024) ConfRank: Improving GFN-FF Conformer Ranking with Pairwise Training. Journal of Chemical Information and Modeling, 64 (23). doi:10.1021/acs.jcim.4c01524
In(2024, December) Journal of Chemical Information and Modeling Vol. 64 (23). American Chemical Society (ACS)

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Oerder, Rick; Hölzer, Christian; Hamaekers, Jan (2025) ConfRank+: Extending Conformer Ranking to Charged Molecules. Journal of Chemical Information and Modeling, 65 (16). doi:10.1021/acs.jcim.5c01259
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Rose, Thomas, Bursch, Markus, Mewes, Jan-Michael, Grimme, Stefan (2024) Fast and Robust Modeling of Lanthanide and Actinide Complexes, Biomolecules, and Molecular Crystals with the Extended GFN-FF Model. Inorganic Chemistry, 63 (41). doi:10.1021/acs.inorgchem.4c03215
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Seidel, Thomas, Permann, Christian, Wieder, Oliver, Kohlbacher, Stefan M., Langer, Thierry (2023) High-Quality Conformer Generation with CONFORGE: Algorithm and Performance Assessment. Journal of Chemical Information and Modeling, 63 (17) 5549-5570 doi:10.1021/acs.jcim.3c00563
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