conftrace_

molecular geometry

6 papers

Explore in graph

Co-occurring keywords

molecule generation (58) geometric modeling (30) graph neural network (3962) molecular machine learning (3) quantum mechanical energies (1) graph-like molecular data (1) atomization energy prediction (1) atomization energy (1) quantum-mechanical energies (1) graph-like data (1)

Papers

Electron Density-enhanced Molecular Geometry Learning IJCAI 2025
Geometric-Facilitated Denoising Diffusion Model for 3D Molecule Generation AAAI 2024
Neural P$^3$M: A Long-Range Interaction Modeling Enhancer for Geometric GNNs NIPS 2024
Geometric Latent Diffusion Models for 3D Molecule Generation ICML 2023
Molecule Joint Auto-Encoding: Trajectory Pretraining with 2D and 3D Diffusion NIPS 2023
Learning Invariant Representations of Molecules for Atomization Energy Prediction NIPS 2012