conftrace_

molecular property optimization

2 papers

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Co-occurring keywords · papers mentioning both

flow-based model (2) chemical space exploration (1) chemical space (1) latent space navigation (1) valence constraint (1) molecule generation (1) molecular generation (1) drug discovery (1) drug design (1) latent space (1)

Papers

Navigating Chemical Space with Latent Flows NeurIPS 2024 GraphAF: a Flow-based Autoregressive Model for Molecular Graph Generation ICLR 2020