Search Results for author:
Found 10 papers, 8 papers with code
FABind+: Enhancing Molecular Docking through Improved Pocket Prediction and Pose Generation
Molecular docking is a pivotal process in drug discovery.
Leveraging Biomolecule and Natural Language through Multi-Modal Learning: A Survey
The integration of biomolecular modeling with natural language (BL) has emerged as a promising interdisciplinary area at the intersection of artificial intelligence, chemistry and biology.
BioT5+: Towards Generalized Biological Understanding with IUPAC Integration and Multi-task Tuning
However, previous efforts like BioT5 faced challenges in generalizing across diverse tasks and lacked a nuanced understanding of molecular structures, particularly in their textual representations (e. g., IUPAC).
Ranked #1 on
Molecule Captioning
on ChEBI-20
BioT5: Enriching Cross-modal Integration in Biology with Chemical Knowledge and Natural Language Associations
Recent advancements in biological research leverage the integration of molecules, proteins, and natural language to enhance drug discovery.
Ranked #2 on
Text-based de novo Molecule Generation
on ChEBI-20
FABind: Fast and Accurate Protein-Ligand Binding
In this work, we propose $\mathbf{FABind}$, an end-to-end model that combines pocket prediction and docking to achieve accurate and fast protein-ligand binding.
Examining User-Friendly and Open-Sourced Large GPT Models: A Survey on Language, Multimodal, and Scientific GPT Models
Generative pre-trained transformer (GPT) models have revolutionized the field of natural language processing (NLP) with remarkable performance in various tasks and also extend their power to multimodal domains.
Tokenized Graph Transformer with Neighborhood Augmentation for Node Classification in Large Graphs
Graph Transformers, emerging as a new architecture for graph representation learning, suffer from the quadratic complexity on the number of nodes when handling large graphs.
Incorporating Pre-training Paradigm for Antibody Sequence-Structure Co-design
Specifically, we first pre-train an antibody language model based on the sequence data, then propose a one-shot way for sequence and structure generation of CDR to avoid the heavy cost and error propagation from an autoregressive manner, and finally leverage the pre-trained antibody model for the antigen-specific antibody generation model with some carefully designed modules.
NAGphormer: A Tokenized Graph Transformer for Node Classification in Large Graphs
In this work, we observe that existing graph Transformers treat nodes as independent tokens and construct a single long sequence composed of all node tokens so as to train the Transformer model, causing it hard to scale to large graphs due to the quadratic complexity on the number of nodes for the self-attention computation.
Revisiting Language Encoding in Learning Multilingual Representations
The language embedding can be either added to the word embedding or attached at the beginning of the sentence.
