GEOM-QM-9
Emerging6papers using it
2024first seen
The GEOM-QM9 dataset contains molecular graphs and their associated quantum mechanical properties, and it is used to evaluate the performance of models in generating low-energy conformer ensembles and identifying ground-state conformations.
Papers using GEOM-QM-9 (6)
- Sampling 3D Molecular Conformers with Diffusion TransformersEnergy-Guided Flow Matching Enables Few-Step Conformer Generation and Ground-State IdentificationFlow-Matching Based Refiner for Molecular Conformer GenerationRao-Blackwell Gradient Estimators for Equivariant Denoising DiffusionWeisfeiler Leman for Euclidean Equivariant Machine LearningMitigating Exposure Bias in Score-Based Generation of Molecular
Conformations