conftrace_

material discovery

6 papers

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Co-occurring keywords · papers mentioning both

graph neural network (3) property prediction (3) material science (2) denoising pretraining (1) chemical action space (1) structure generation (1) crystal generation (1) crystallographic structure (1) geometrically equivariant (1) atomic position (1)

Papers

A Denoising Pre-training Framework for Accelerating Novel Material Discovery AAAI 2025 MANDREL: Modular Reinforcement Learning Pipelines for Material Discovery AAAI 2024 Vector Field Oriented Diffusion Model for Crystal Material Generation AAAI 2024 Equivariant Message Passing Neural Network for Crystal Material Discovery AAAI 2023 Foundation Model for Material Science AAAI 2023 Optimized Crystallographic Graph Generation for Material Science IJCAI 2023