conftrace_

molecules

3 papers

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Co-occurring keywords · papers mentioning both

autoencoders (2) blocks (1) all-atom representations (1) e(3)-equivariant (1) materials (1) posterior (1) large language model (1) generative modelling (1) fine tuning (1) domain-specific data (1)

Papers

All-atom Diffusion Transformers: Unified generative modelling of molecules and materials ICML 2025 UniMoMo: Unified Generative Modeling of 3D Molecules for De Novo Binder Design ICML 2025 A Sober Look at LLMs for Material Discovery: Are They Actually Good for Bayesian Optimization Over Molecules? ICML 2024