Datasets:
Add task category, paper & code links, full abstract and tags
#2
by
nielsr
HF Staff
- opened
README.md
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license: mit
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dataset_info:
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features:
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- name: edge_index
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# MuMo Pretraining Dataset
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- 📄 Paper: [
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- 📬 Contact:
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- Zihao Jing: [email protected] | Wechat: A2016A315214 | Instagram: nobeljing25
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- Pingzhao Hu: [email protected]
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## Abstract
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Multimodal molecular models often suffer from 3D conformer unreliability and modality collapse, limiting robustness and generalization. MuMo addresses these challenges
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## Dataset Overview
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If you find this work useful, please cite:
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Zihao Jing, Yan Sun, Yanyi Li, Sugitha Janarthanan, Alana Deng, and Pingzhao Hu. "MuMo: Multimodal Molecular Representation Learning via Structural Fusion and Progressive Injection." In Advances in Neural Information Processing Systems (NeurIPS), 2025. ([paper](https://
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```bibtex
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@inproceedings{jing2025mumo,
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---
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license: mit
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task_categories:
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- graph-ml
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tags:
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- chemistry
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- molecular-biology
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- drug-discovery
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- multi-modal
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dataset_info:
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features:
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- name: edge_index
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# MuMo Pretraining Dataset
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- 📄 Paper: [Structure-Aware Fusion with Progressive Injection for Multimodal Molecular Representation Learning](https://huggingface.co/papers/2510.23640)
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- 💻 Code: [https://github.com/selmiss/MuMo](https://github.com/selmiss/MuMo)
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- 📬 Contact:
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- Zihao Jing: [email protected] | Wechat: A2016A315214 | Instagram: nobeljing25
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- Pingzhao Hu: [email protected]
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## Abstract
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Multimodal molecular models often suffer from 3D conformer unreliability and modality collapse, limiting their robustness and generalization. We propose MuMo, a structured multimodal fusion framework that addresses these challenges in molecular representation through two key strategies. To reduce the instability of conformer-dependent fusion, we design a Structured Fusion Pipeline (SFP) that combines 2D topology and 3D geometry into a unified and stable structural prior. To mitigate modality collapse caused by naive fusion, we introduce a Progressive Injection (PI) mechanism that asymmetrically integrates this prior into the sequence stream, preserving modality-specific modeling while enabling cross-modal enrichment. Built on a state space backbone, MuMo supports long-range dependency modeling and robust information propagation. Across 29 benchmark tasks from Therapeutics Data Commons (TDC) and MoleculeNet, MuMo achieves an average improvement of 2.7% over the best-performing baseline on each task, ranking first on 22 of them, including a 27% improvement on the LD50 task. These results validate its robustness to 3D conformer noise and the effectiveness of multimodal fusion in molecular representation. The code is available at: this http URL .
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## Dataset Overview
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If you find this work useful, please cite:
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Zihao Jing, Yan Sun, Yanyi Li, Sugitha Janarthanan, Alana Deng, and Pingzhao Hu. "MuMo: Multimodal Molecular Representation Learning via Structural Fusion and Progressive Injection." In Advances in Neural Information Processing Systems (NeurIPS), 2025. ([paper](https://huggingface.co/papers/2510.23640))
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```bibtex
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@inproceedings{jing2025mumo,
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