Towards Faster and More Compact Foundation Models for Molecular Property Prediction
Fuente:
arXiv
Saved in:
| Main Authors: | Ghunaim, Yasir, Villa, Andrés, Ignacz, Gergo, Szekely, Gyorgy, Alfarra, Motasem, Ghanem, Bernard |
|---|---|
| Format: | Preprint |
| Published: |
2025
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Towards Efficient Molecular Property Optimization with Graph Energy Based Models
by: Miglior, Luca, et al.
Published: (2025)
by: Miglior, Luca, et al.
Published: (2025)
Learning Hierarchical Interaction for Accurate Molecular Property Prediction
by: Hong, Huiyang, et al.
Published: (2025)
by: Hong, Huiyang, et al.
Published: (2025)
PharMolixFM: All-Atom Foundation Models for Molecular Modeling and Generation
by: Luo, Yizhen, et al.
Published: (2025)
by: Luo, Yizhen, et al.
Published: (2025)
Compact Artificial Neural Network Models for Predicting Protein Residue -- RNA Base Binding
by: Selitskiy, Stanislav
Published: (2025)
by: Selitskiy, Stanislav
Published: (2025)
OneProt: Towards Multi-Modal Protein Foundation Models
by: Flöge, Klemens, et al.
Published: (2024)
by: Flöge, Klemens, et al.
Published: (2024)
Molecular Fingerprints Are Strong Models for Peptide Function Prediction
by: Adamczyk, Jakub, et al.
Published: (2025)
by: Adamczyk, Jakub, et al.
Published: (2025)
Investigating Graph Neural Networks and Classical Feature-Extraction Techniques in Activity-Cliff and Molecular Property Prediction
by: Dablander, Markus
Published: (2024)
by: Dablander, Markus
Published: (2024)
Towards More Accurate Full-Atom Antibody Co-Design
by: Wu, Jiayang, et al.
Published: (2025)
by: Wu, Jiayang, 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)
CL-MFAP: A Contrastive Learning-Based Multimodal Foundation Model for Molecular Property Prediction and Antibiotic Screening
by: Zhou, Gen, et al.
Published: (2025)
by: Zhou, Gen, et al.
Published: (2025)
Global Human-guided Counterfactual Explanations for Molecular Properties via Reinforcement Learning
by: Wang, Danqing, et al.
Published: (2024)
by: Wang, Danqing, et al.
Published: (2024)
Uncertainty Quantification for Molecular Property Predictions with Graph Neural Architecture Search
by: Jiang, Shengli, et al.
Published: (2023)
by: Jiang, Shengli, et al.
Published: (2023)
Explaining Graph Neural Networks with Large Language Models: A Counterfactual Perspective for Molecular Property Prediction
by: He, Yinhan, et al.
Published: (2024)
by: He, Yinhan, et al.
Published: (2024)
Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning
by: Kong, Xiangzhe, et al.
Published: (2023)
by: Kong, Xiangzhe, et al.
Published: (2023)
GP-MoLFormer: A Foundation Model For Molecular Generation
by: Ross, Jerret, et al.
Published: (2024)
by: Ross, Jerret, et al.
Published: (2024)
Multi-Modal Representation Learning for Molecular Property Prediction: Sequence, Graph, Geometry
by: Wang, Zeyu, et al.
Published: (2024)
by: Wang, Zeyu, et al.
Published: (2024)
HELM-BERT: A Transformer for Medium-sized Peptide Property Prediction
by: Lee, Seungeon, et al.
Published: (2025)
by: Lee, Seungeon, et al.
Published: (2025)
Molecular Diffusion Models with Virtual Receptors
by: Halfon, Matan, et al.
Published: (2024)
by: Halfon, Matan, et al.
Published: (2024)
Generative Modeling of Molecular Dynamics Trajectories
by: Jing, Bowen, et al.
Published: (2024)
by: Jing, Bowen, et al.
Published: (2024)
Ligandformer: A Graph Neural Network for Predicting Compound Property with Robust Interpretation
by: Guo, Jinjiang, et al.
Published: (2022)
by: Guo, Jinjiang, et al.
Published: (2022)
Tokenization for Molecular Foundation Models
by: Wadell, Alexius, et al.
Published: (2024)
by: Wadell, Alexius, et al.
Published: (2024)
Integrating Chemical Language and Molecular Graph in Multimodal Fused Deep Learning for Drug Property Prediction
by: Lu, Xiaohua, et al.
Published: (2023)
by: Lu, Xiaohua, et al.
Published: (2023)
When Does Context Help? A Systematic Study of Target-Conditional Molecular Property Prediction
by: Cheng, Bryan, et al.
Published: (2026)
by: Cheng, Bryan, et al.
Published: (2026)
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)
On the Importance of Pretraining Data Alignment for Atomic Property Prediction
by: Ghunaim, Yasir, et al.
Published: (2025)
by: Ghunaim, Yasir, et al.
Published: (2025)
Unveiling Scaling Behaviors in Molecular Language Models: Effects of Model Size, Data, and Representation
by: Xu, Dong, et al.
Published: (2026)
by: Xu, Dong, et al.
Published: (2026)
Multi-Objective Latent Space Optimization of Generative Molecular Design Models
by: Abeer, A N M Nafiz, et al.
Published: (2022)
by: Abeer, A N M Nafiz, et al.
Published: (2022)
QuickBind: A Light-Weight And Interpretable Molecular Docking Model
by: Treyde, Wojtek, et al.
Published: (2024)
by: Treyde, Wojtek, et al.
Published: (2024)
Accelerating Inference in Molecular Diffusion Models with Latent Representations of Protein Structure
by: Dunn, Ian, et al.
Published: (2023)
by: Dunn, Ian, et al.
Published: (2023)
Online Distillation with Continual Learning for Cyclic Domain Shifts
by: Houyon, Joachim, et al.
Published: (2023)
by: Houyon, Joachim, et al.
Published: (2023)
Beyond Atoms: Enhancing Molecular Pretrained Representations with 3D Space Modeling
by: Lu, Shuqi, et al.
Published: (2025)
by: Lu, Shuqi, et al.
Published: (2025)
DecompOpt: Controllable and Decomposed Diffusion Models for Structure-based Molecular Optimization
by: Zhou, Xiangxin, et al.
Published: (2024)
by: Zhou, Xiangxin, et al.
Published: (2024)
Towards Precision Protein-Ligand Affinity Prediction Benchmark: A Complete and Modification-Aware DAVIS Dataset
by: Wu, Ming-Hsiu, et al.
Published: (2025)
by: Wu, Ming-Hsiu, et al.
Published: (2025)
Two-Stage Pretraining for Molecular Property Prediction in the Wild
by: Wijaya, Kevin Tirta, et al.
Published: (2024)
by: Wijaya, Kevin Tirta, et al.
Published: (2024)
Addressing Model Overcomplexity in Drug-Drug Interaction Prediction With Molecular Fingerprints
by: Gil-Sorribes, Manel, et al.
Published: (2025)
by: Gil-Sorribes, Manel, et al.
Published: (2025)
MAPE-PPI: Towards Effective and Efficient Protein-Protein Interaction Prediction via Microenvironment-Aware Protein Embedding
by: Wu, Lirong, et al.
Published: (2024)
by: Wu, Lirong, et al.
Published: (2024)
Rethinking Molecular Design: Integrating Latent Variable and Auto-Regressive Models for Goal Directed Generation
by: Arthur-Loui, Heath, et al.
Published: (2024)
by: Arthur-Loui, Heath, et al.
Published: (2024)
Benchmarking Large Language Models for Molecule Prediction Tasks
by: Zhong, Zhiqiang, et al.
Published: (2024)
by: Zhong, Zhiqiang, et al.
Published: (2024)
Molecular Generative Adversarial Network with Multi-Property Optimization
by: Tang, Huidong, et al.
Published: (2024)
by: Tang, Huidong, et al.
Published: (2024)
Insights Into the Inner Workings of Transformer Models for Protein Function Prediction
by: Wenzel, Markus, et al.
Published: (2023)
by: Wenzel, Markus, et al.
Published: (2023)
Similar Items
-
Towards Efficient Molecular Property Optimization with Graph Energy Based Models
by: Miglior, Luca, et al.
Published: (2025) -
Learning Hierarchical Interaction for Accurate Molecular Property Prediction
by: Hong, Huiyang, et al.
Published: (2025) -
PharMolixFM: All-Atom Foundation Models for Molecular Modeling and Generation
by: Luo, Yizhen, et al.
Published: (2025) -
Compact Artificial Neural Network Models for Predicting Protein Residue -- RNA Base Binding
by: Selitskiy, Stanislav
Published: (2025) -
OneProt: Towards Multi-Modal Protein Foundation Models
by: Flöge, Klemens, et al.
Published: (2024)