Bioinformatics

MSAGPT: Neural Prompting Protein Structure Prediction via MSA Generative Pre-Training NeurIPS 2024 Multi-modal Transfer Learning between Biological Foundation Models NeurIPS 2024 MutaPLM: Protein Language Modeling for Mutation Explanation and Engineering NeurIPS 2024 Neural Network Reparametrization for Accelerated Optimization in Molecular Simulations NeurIPS 2024 Pre-Training Protein Bi-level Representation Through Span Mask Strategy On 3D Protein Chains ICML 2024 ProSST: Protein Language Modeling with Quantized Structure and Disentangled Attention NeurIPS 2024 ReactXT: Understanding Molecular “Reaction-ship” via Reaction-Contextualized Molecule-Text Pretraining ACL 2024 ReactZyme: A Benchmark for Enzyme-Reaction Prediction NeurIPS 2024 Reprogramming Pretrained Target-Specific Diffusion Models for Dual-Target Drug Design NeurIPS 2024 Repurformer: Transformers for Repurposing-Aware Molecule Generation ACL 2024 RGFN: Synthesizable Molecular Generation Using GFlowNets NeurIPS 2024 SciMind: A Multimodal Mixture-of-Experts Model for Advancing Pharmaceutical Sciences ACL 2024 Seeing Unseen: Discover Novel Biomedical Concepts via Geometry-Constrained Probabilistic Modeling CVPR 2024 Str2Str: A Score-based Framework for Zero-shot Protein Conformation Sampling ICLR 2024 string2string: A Modern Python Library for String-to-String Algorithms ACL 2024 SubgDiff: A Subgraph Diffusion Model to Improve Molecular Representation Learning NeurIPS 2024 Towards Stable Representations for Protein Interface Prediction NeurIPS 2024 Uncertainty-Aware Yield Prediction with Multimodal Molecular Features AAAI 2024 Understanding Transcriptional Regulatory Redundancy by Learnable Global Subset Perturbations ACML 2024 Vector Field Oriented Diffusion Model for Crystal Material Generation AAAI 2024 VQDNA: Unleashing the Power of Vector Quantization for Multi-Species Genomic Sequence Modeling ICML 2024 WelQrate: Defining the Gold Standard in Small Molecule Drug Discovery Benchmarking NeurIPS 2024 AbDiffuser: full-atom generation of in-vitro functioning antibodies NeurIPS 2023 A Step Towards Worldwide Biodiversity Assessment: The BIOSCAN-1M Insect Dataset NeurIPS 2023 Conditional Diffusion Based on Discrete Graph Structures for Molecular Graph Generation AAAI 2023