conftrace_

geometric generation

2 papers

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Co-occurring keywords · papers mentioning both

bayesian flow network (1) molecule geometry (1) molecule stability (1) molecular conformer (1) equivariant modeling (1) 3d molecule generation (1) message passing neural network (1) drug discovery (1) molecular graph (1) optimal transport (1)

Papers

Unified Generative Modeling of 3D Molecules with Bayesian Flow Networks ICLR 2024 GeoMol: Torsional Geometric Generation of Molecular 3D Conformer Ensembles NeurIPS 2021