conftrace_

crystalline material

5 papers

Explore in graph

Co-occurring keywords

graph neural network (3962) generative model (2892) meta-stable crystal (1) protein structure (59) 3d geometry (115) gpu optimization (27) density of state (6) periodic structure (2) material property prediction (4) molecular modeling (10)

Papers

FlowLLM: Flow Matching for Material Generation with Large Language Models as Base Distributions NIPS 2024

Optimized Crystallographic Graph Generation for Material Science IJCAI 2023

Density of States Prediction of Crystalline Materials via Prompt-guided Multi-Modal Transformer NIPS 2023

Symmetry-Informed Geometric Representation for Molecules, Proteins, and Crystalline Materials NIPS 2023

CrysGNN: Distilling Pre-trained Knowledge to Enhance Property Prediction for Crystalline Materials AAAI 2023