OTP-FM extends conditional flow matching by incorporating dynamic optimal transport potentials to enable efficient multimarginal transport learning with intermediate observed marginals.
Fréchet chemnet distance: A metric for generative models for molecules in drug discovery
2 Pith papers cite this work, alongside 343 external citations. Polarity classification is still indexing.
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GraphBSI uses Bayesian Sample Inference as noise-controlled SDEs to generate discrete graphs in one shot, achieving state-of-the-art results on molecular benchmarks Moses and GuacaMol.
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Discrete Bayesian Sample Inference for Graph Generation
GraphBSI uses Bayesian Sample Inference as noise-controlled SDEs to generate discrete graphs in one shot, achieving state-of-the-art results on molecular benchmarks Moses and GuacaMol.