conftrace_

force prediction

11 papers

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Co-occurring keywords · papers mentioning both

energy prediction (7) graph neural network (6) molecular property prediction (2) molecular dynamics (2) atomic simulation (1) equivariant gnns (1) atom representation (1) materials property prediction (1) equivariant energy-based model (1) 3d molecular pretraining (1)

Papers

Force-Aware 3D Contact Modeling for Stable Grasp Generation AAAI 2026 ELoRA: Low-Rank Adaptation for Equivariant GNNs ICML 2025 EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations ICLR 2024 Neural P$^3$M: A Long-Range Interaction Modeling Enhancer for Geometric GNNs NeurIPS 2024 PhAST: Physics-Aware, Scalable, and Task-Specific GNNs for Accelerated Catalyst Design JMLR 2024 Accelerating Molecular Graph Neural Networks via Knowledge Distillation NeurIPS 2023 Benchmark of Machine Learning Force Fields for Semiconductor Simulations: Datasets, Metrics, and Comparative Analysis NeurIPS 2023 Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs AAAI 2023 Spherical Channels for Modeling Atomic Interactions NeurIPS 2022 Towards Training Billion Parameter Graph Neural Networks for Atomic Simulations ICLR 2022 SchNet: A continuous-filter convolutional neural network for modeling quantum interactions NeurIPS 2017