Training Dynamics of Learning 3D-Rotational Equivariance
Fuente:
arXiv
Saved in:
| Main Authors: | Shen, Max W., Nowara, Ewa, Maser, Michael, Cho, Kyunghyun |
|---|---|
| Format: | Preprint |
| Published: |
2025
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
NEBULA: Neural Empirical Bayes Under Latent Representations for Efficient and Controllable Design of Molecular Libraries
by: Nowara, Ewa M., et al.
Published: (2024)
by: Nowara, Ewa M., et al.
Published: (2024)
Beyond Atoms: Evaluating Electron Density Representation for 3D Molecular Learning
by: Suriana, Patricia, et al.
Published: (2025)
by: Suriana, Patricia, et al.
Published: (2025)
Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning
by: Kong, Xiangzhe, et al.
Published: (2023)
by: Kong, Xiangzhe, et al.
Published: (2023)
Structure-based Drug Design with Equivariant Diffusion Models
by: Schneuing, Arne, et al.
Published: (2022)
by: Schneuing, Arne, et al.
Published: (2022)
Rotational Sampling: A Plug-and-Play Encoder for Rotation-Invariant 3D Molecular GNNs
by: Jin, Dian
Published: (2025)
by: Jin, Dian
Published: (2025)
Symphony: Symmetry-Equivariant Point-Centered Spherical Harmonics for 3D Molecule Generation
by: Daigavane, Ameya, et al.
Published: (2023)
by: Daigavane, Ameya, et al.
Published: (2023)
EquiPocket: an E(3)-Equivariant Geometric Graph Neural Network for Ligand Binding Site Prediction
by: Zhang, Yang, et al.
Published: (2023)
by: Zhang, Yang, et al.
Published: (2023)
ETDock: A Novel Equivariant Transformer for Protein-Ligand Docking
by: Yi, Yiqiang, et al.
Published: (2023)
by: Yi, Yiqiang, et al.
Published: (2023)
Equivariant Scalar Fields for Molecular Docking with Fast Fourier Transforms
by: Jing, Bowen, et al.
Published: (2023)
by: Jing, Bowen, et al.
Published: (2023)
AbDiffuser: Full-Atom Generation of in vitro Functioning Antibodies
by: Martinkus, Karolis, et al.
Published: (2023)
by: Martinkus, Karolis, et al.
Published: (2023)
EquiJump: Protein Dynamics Simulation via SO(3)-Equivariant Stochastic Interpolants
by: Costa, Allan dos Santos, et al.
Published: (2024)
by: Costa, Allan dos Santos, et al.
Published: (2024)
RiboGen: RNA Sequence and Structure Co-Generation with Equivariant MultiFlow
by: Rubin, Dana, et al.
Published: (2025)
by: Rubin, Dana, et al.
Published: (2025)
Rigid Protein-Protein Docking via Equivariant Elliptic-Paraboloid Interface Prediction
by: Yu, Ziyang, et al.
Published: (2024)
by: Yu, Ziyang, et al.
Published: (2024)
Antibody DomainBed: Out-of-Distribution Generalization in Therapeutic Protein Design
by: Tagasovska, Nataša, et al.
Published: (2024)
by: Tagasovska, Nataša, et al.
Published: (2024)
PETIMOT: A Novel Framework for Inferring Protein Motions from Sparse Data Using SE(3)-Equivariant Graph Neural Networks
by: Lombard, Valentin, et al.
Published: (2025)
by: Lombard, Valentin, et al.
Published: (2025)
Protein Discovery with Discrete Walk-Jump Sampling
by: Frey, Nathan C., et al.
Published: (2023)
by: Frey, Nathan C., et al.
Published: (2023)
Few-shot Protein Fitness Prediction via In-context Learning and Test-time Training
by: Teufel, Felix, et al.
Published: (2025)
by: Teufel, Felix, et al.
Published: (2025)
3D-Mol: A Novel Contrastive Learning Framework for Molecular Property Prediction with 3D Information
by: Kuang, Taojie, et al.
Published: (2023)
by: Kuang, Taojie, et al.
Published: (2023)
EquiFlow: Equivariant Conditional Flow Matching with Optimal Transport for 3D Molecular Conformation Prediction
by: Tian, Qingwen, et al.
Published: (2024)
by: Tian, Qingwen, et al.
Published: (2024)
TriFit: Trimodal Fusion with Protein Dynamics for Mutation Fitness Prediction
by: Cho, Seungik
Published: (2026)
by: Cho, Seungik
Published: (2026)
S-MolSearch: 3D Semi-supervised Contrastive Learning for Bioactive Molecule Search
by: Zhou, Gengmo, et al.
Published: (2024)
by: Zhou, Gengmo, et al.
Published: (2024)
Learning Structure, Energy, and Dynamics: A Survey of Artificial Intelligence for Protein Dynamics
by: Tang, Haocheng, et al.
Published: (2026)
by: Tang, Haocheng, et al.
Published: (2026)
GeoRecon: Graph-Level Representation Learning for 3D Molecules via Reconstruction-Based Pretraining
by: Yan, Shaoheng, et al.
Published: (2025)
by: Yan, Shaoheng, et al.
Published: (2025)
SE(3)-Equivariant Ternary Complex Prediction Towards Target Protein Degradation
by: Xue, Fanglei, et al.
Published: (2025)
by: Xue, Fanglei, et al.
Published: (2025)
Equivariant Blurring Diffusion for Hierarchical Molecular Conformer Generation
by: Park, Jiwoong, et al.
Published: (2024)
by: Park, Jiwoong, et al.
Published: (2024)
SurGBSA: Learning Representations From Molecular Dynamics Simulations
by: Jones, Derek, et al.
Published: (2025)
by: Jones, Derek, et al.
Published: (2025)
Multi-domain Distribution Learning for De Novo Drug Design
by: Schneuing, Arne, et al.
Published: (2025)
by: Schneuing, Arne, et al.
Published: (2025)
Assessing Reusability of Deep Learning-Based Monotherapy Drug Response Prediction Models Trained with Omics Data
by: Overbeek, Jamie C., et al.
Published: (2024)
by: Overbeek, Jamie C., et al.
Published: (2024)
E3STO: Orbital Inspired SE(3)-Equivariant Molecular Representation for Electron Density Prediction
by: Mitnikov, Ilan, et al.
Published: (2024)
by: Mitnikov, Ilan, et al.
Published: (2024)
ProxelGen: Generating Proteins as 3D Densities
by: Faltings, Felix, et al.
Published: (2025)
by: Faltings, Felix, et al.
Published: (2025)
HERMES: Holographic Equivariant neuRal network model for Mutational Effect and Stability prediction
by: Visani, Gian Marco, et al.
Published: (2024)
by: Visani, Gian Marco, et al.
Published: (2024)
Score-based 3D molecule generation with neural fields
by: Kirchmeyer, Matthieu, et al.
Published: (2025)
by: Kirchmeyer, Matthieu, et al.
Published: (2025)
FlowMol3: Flow Matching for 3D De Novo Small-Molecule Generation
by: Dunn, Ian, et al.
Published: (2025)
by: Dunn, Ian, et al.
Published: (2025)
Tokenizing 3D Molecule Structure with Quantized Spherical Coordinates
by: Gao, Kaiyuan, et al.
Published: (2024)
by: Gao, Kaiyuan, et al.
Published: (2024)
3D-based RNA function prediction tools in rnaglib
by: Oliver, Carlos, et al.
Published: (2024)
by: Oliver, Carlos, et al.
Published: (2024)
MarS-FM: Generative Modeling of Molecular Dynamics via Markov State Models
by: Kapuśniak, Kacper, et al.
Published: (2025)
by: Kapuśniak, Kacper, et al.
Published: (2025)
A Comprehensive Benchmark for RNA 3D Structure-Function Modeling
by: Wyss, Luis, et al.
Published: (2025)
by: Wyss, Luis, et al.
Published: (2025)
EquiBoost: An Equivariant Boosting Approach to Molecular Conformation Generation
by: Yang, Yixuan, et al.
Published: (2025)
by: Yang, Yixuan, et al.
Published: (2025)
Quantum-inspired Reinforcement Learning for Synthesizable Drug Design
by: Wang, Dannong, et al.
Published: (2024)
by: Wang, Dannong, et al.
Published: (2024)
A Model-Centric Review of Deep Learning for Protein Design
by: Kyro, Gregory W., et al.
Published: (2025)
by: Kyro, Gregory W., et al.
Published: (2025)
Similar Items
-
NEBULA: Neural Empirical Bayes Under Latent Representations for Efficient and Controllable Design of Molecular Libraries
by: Nowara, Ewa M., et al.
Published: (2024) -
Beyond Atoms: Evaluating Electron Density Representation for 3D Molecular Learning
by: Suriana, Patricia, et al.
Published: (2025) -
Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning
by: Kong, Xiangzhe, et al.
Published: (2023) -
Structure-based Drug Design with Equivariant Diffusion Models
by: Schneuing, Arne, et al.
Published: (2022) -
Rotational Sampling: A Plug-and-Play Encoder for Rotation-Invariant 3D Molecular GNNs
by: Jin, Dian
Published: (2025)