Beyond 2D: Exploring the GEOM Dataset for 3D Molecular Conformer Generation
Learn how GEOM transforms 2D molecular graphs into dynamic 3D conformer ensembles for molecular machine learning applications.
Gfn2-Xtb
1 post tagged with gfn2-xtb.
1 post tagged with gfn2-xtb.
Learn how GEOM transforms 2D molecular graphs into dynamic 3D conformer ensembles for molecular machine learning applications.