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cond-mat.mtrl-sci2025
A Chemically Grounded Evaluation Framework for Generative Models in Materials Discovery
Elohan Veillon, Astrid Klipfel, Adlane Sayede +1
Generative models hold great promise for accelerating materials discovery, but their evaluation often overlooks the chemical validity and stability requirements crucial to real-wor…
cond-mat.mtrl-sci2023
Vector Field Oriented Diffusion Model for Crystal Material Generation
Astrid Klipfel, Yaël Fregier, Adlane Sayede +1
Discovering crystal structures with specific chemical properties has become an increasingly important focus in material science. However, current models are limited in their abilit…