conftrace_

crystalline material

6 papers

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Co-occurring keywords · papers mentioning both

graph neural network (2) generative model (2) material generation (1) meta-stable crystal (1) protein structure (1) 3d geometry (1) gpu optimization (1) density of state (1) langevin diffusion (1) periodic structure (1)

Papers

Kinetic Langevin Diffusion for Crystalline Materials Generation ICML 2025 FlowLLM: Flow Matching for Material Generation with Large Language Models as Base Distributions NeurIPS 2024 CrysGNN: Distilling Pre-trained Knowledge to Enhance Property Prediction for Crystalline Materials AAAI 2023 Density of States Prediction of Crystalline Materials via Prompt-guided Multi-Modal Transformer NeurIPS 2023 Optimized Crystallographic Graph Generation for Material Science IJCAI 2023 Symmetry-Informed Geometric Representation for Molecules, Proteins, and Crystalline Materials NeurIPS 2023