FlashMol produces chemically valid 3D molecules in 4 steps via distribution matching distillation with respaced timesteps and Jensen-Shannon regularization, matching or exceeding 1000-step teacher performance on QM9 and GEOM-DRUG.
Geometric latent diffusion models for 3d molecule generation.Proceedings of the 40th International Conference on Machine Learning, 2023
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FlashMol: High-Quality Molecule Generation in as Few as Four Steps
FlashMol produces chemically valid 3D molecules in 4 steps via distribution matching distillation with respaced timesteps and Jensen-Shannon regularization, matching or exceeding 1000-step teacher performance on QM9 and GEOM-DRUG.