Showing results (1-10 of 7) with videos related to
Sort By:
Pageof 1
Journal of Chemical Information and Modeling|August 7, 2025
ConfRank+: Extending Conformer Ranking to Charged MoleculesRick Oerder, Christian Hölzer, Jan HamaekersJournal of Chemical Information and Modeling|November 20, 2024
ConfRank: Improving GFN-FF Conformer Ranking with Pairwise TrainingChristian Hölzer, Rick Oerder, Stefan Grimme, et al.Molecular Diversity|August 5, 2017
The octet rule in chemical space: generating virtual moleculesRafel Israels, Astrid Maaß, Jan HamaekersJournal of Cheminformatics|June 21, 2024
Llamol: a dynamic multi-conditional generative transformer for de novo molecular designNiklas Dobberstein, Astrid Maass, Jan HamaekersThe Journal of Chemical Physics|August 9, 2024
dxtb-An efficient and fully differentiable framework for extended tight-bindingMarvin Friede, Christian Hölzer, Sebastian Ehlert, et al.Journal of Chemical Information and Modeling|January 18, 2024
Hybrid DFT Geometries and Properties for 17k Lanthanoid Complexes─The LnQM Data SetChristian Hölzer, Igor Gordiy, Stefan Grimme, et al.ACS Omega|November 10, 2018
Insights into the Folding of Disulfide-Rich μ-ConotoxinsAjay Abisheck Paul George, Pascal Heimer, Astrid Maaß, et al.Pageof 1