LEGO-MOF maps MOF linkers to an equivariant latent space for continuous editing and uses test-time optimization to achieve a 147.5% average boost in pure CO2 uptake while preserving structural validity.
Frontiers in Pharmacology , VOLUME=
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CoMole uses a motif-aware graph diffusion pipeline with RL to rank first in controllability on nine targets across materials and drug benchmarks while keeping validity above 0.94 without post-processing.
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LEGO-MOF: Equivariant Latent Manipulation for Editable, Generative, and Optimizable MOF Design
LEGO-MOF maps MOF linkers to an equivariant latent space for continuous editing and uses test-time optimization to achieve a 147.5% average boost in pure CO2 uptake while preserving structural validity.
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Controllable Molecular Generative Foundation Models
CoMole uses a motif-aware graph diffusion pipeline with RL to rank first in controllability on nine targets across materials and drug benchmarks while keeping validity above 0.94 without post-processing.