Key papers

• Machine Learning for De Novo Molecular Generation: A Comprehensive Review. (2026)
  Yingjun Chen et al.
  9.10
• AbBiBench: A Benchmark for Antibody Binding Affinity Maturation and Design (2025)
  Xinyan Zhao et al.
  6.80
• BioReason-Pro: Advancing Protein Function Prediction with Multimodal Biological Reasoning (2026)
  Adibvafa Fallahpour et al.
  6.46
• Coupling particle-based reaction-diffusion simulations with reservoirs mediated by reaction-diffusion PDEs (2020)
  Margarita Kostr\'e et al.
  6.39
• An evaluation of unconditional 3D molecular generation methods (2025)
  Martin Buttenschoen et al.
  6.01
• IgCraft: A versatile sequence generation framework for antibody discovery and engineering (2025)
  Matthew Greenig et al.
  5.24
• PhenDiff: Revealing Subtle Phenotypes with Diffusion Models in Real Images (2023)
  Anis Bourou et al.
  4.85
• CINNAMON: A hybrid approach to change point detection and parameter estimation in single-particle tracking data (2025)
  Jakub Malinowski et al.
  4.82
• Differentiable Electron Microscopy Simulation: Methods and Applications for Visualization (2022)
  Ngan Nguyen et al.
  4.52
• Contrasting statistical patterns in melodic and molecular evolution reveal distinctive constraints in a culturally evolving system (2026)
  John M McBride et al.
  4.39
• An unsupervised clustering analysis of breast cancer data derived from electronic health records enhanced through UMAP dimensionality reduction (2026)
  Davide Chicco et al.
  4.39
• PRAXIS: Case-distilled and code-verified AI agents for biological research (2026)
  Zhenyu Ma et al.
  4.27
• Trans-dimensional Bayesian model averaging for $^{13}$C-based metabolic flux analysis: Evidence-based flux inference under structural model uncertainty (2026)
  Johann F. Jadebeck et al.
  4.27
• Automated multi-dataset INST $^{13}$C metabolic flux analysis at microliter scale reveals robust fluxes but variable metabolite pools in $Corynebacterium~glutamicum$ (2026)
  Jochen Nie{\ss}er et al.
  4.27
• ViroBench: Benchmarking Nucleotide Foundation Models on Viral Genomics Tasks (2026)
  Dongxin Ye et al.
  4.27
• Harnessing angular geometry in deep learning for protein-ligand binding affinity prediction (2026)
  Julia Rahman et al.
  4.20
• ViroGym: Realistic Large-Scale Benchmarks for Evaluating Viral Proteins (2026)
  Yichen Zhou et al.
  4.04
• CellFlux: Simulating Cellular Morphology Changes via Flow Matching (2025)
  Yuhui Zhang et al.
  3.59
• 3D Masked Autoencoders are Robust Learners of Volumetric and Multimodal Cellular Representations for Microscopy (2026)
  Amirhossein Kardoost et al.
  3.45
• Cell-cell Communication Inference and Analysis: Biological Mechanisms, Computational Approaches, and Future Opportunities (2025)
  Xiangzheng Cheng et al.
  3.21
• Thermal Tracks: A Gaussian process-based framework for universal melting curve analysis enabling unconstrained hit identification in thermal proteome profiling experiments (2025)
  Johannes F. Hevler et al.
  2.99
• Karyotype AI for Precision Oncology (2022)
  Zahra Shamsi et al.
  2.53
• Identifying biological perturbation targets through causal differential networks (2024)
  Menghua Wu et al.
  2.49
• GraphRareBench: An Auditable Graph-Evidence Benchmark for Phenotype-Driven Rare-Disease Diagnosis (2026)
  Guiling Guo et al.
  2.00
• AMPBench-MT: A Homology-Controlled Benchmark for Antimicrobial Peptide Potency, Spectrum, and Safety Prediction (2026)
  Ziheng Zhou et al.
  2.00
• GraphPINE: Graph Importance Propagation for Interpretable Drug Response Prediction (2026)
  Yoshitaka Inoue et al.
  1.94
• Hyaline: Geometric Deep Learning for Accurate Prediction of G Protein-Coupled Receptor Activation States from Structure (2026)
  A. Khaleq et al.
  1.94
• DualBind: Dual-module protein-ligand binding affinity prediction with adaptive GNN and structure-aware transformer (2026)
  Xuan Lin et al.
  1.94
• Visual-like 2D Geometric Template Diffusion for Boosting Single-Sequence Protein Structure Prediction (2026)
  Xudong Wang et al.
  1.94
• HAGGNN: Hydration-Aware Geometric Graph Neural Network for Protein Thermal Stability Prediction. (2026)
  Yingying Jiang et al.
  1.94
• Structure-Aware Protein Language Model with Multi-Branch Ensemble for Nanobody–Antigen Interaction Prediction (2026)
  Fangli Ying et al.
  1.94
• Hybrid BiLSTM machine learning with RNAfold-based thermodynamic modeling for RNA secondary structure prediction (2026)
  Jophy Lin
  1.94
• AI-driven peptide discovery for endometrial cancer: deep generative modeling and molecular simulation in the big data era (2026)
  Israr Fatima et al.
  1.94
• Bacterial protein function prediction via multimodal deep learning (2026)
  Giulia Muzio et al.
  1.94
• ME-pKa: A Deep Learning Method with Multimodal Learning for Protein pKa Prediction. (2026)
  Shanshan Shi et al.
  1.94
• Dual-stage optimizer for systematic overestimation adjustment applied to multi-objective genetic algorithms for biomarker selection (2023)
  Luca Cattelani and Vittorio Fortino
  1.93
• ProtDBench: A Unified Benchmark of Protein Binder Design and Evaluation (2026)
  Cong Liu et al.
  1.89
• Lingshu-Cell: A generative cellular world model for transcriptome modeling toward virtual cells (2026)
  Han Zhang et al.
  1.78
• Exact Discrete Stochastic Simulation with Deep-Learning-Scale Gradient Optimization (2026)
  Jose M. G. Vilar and Leonor Saiz
  1.72
• The Sim-to-Real Gap in MRS Quantification: A Systematic Deep Learning Validation for GABA (2026)
  Zien Ma et al.
  1.72
• Point transformer for protein structural heterogeneity analysis using CryoEM (2026)
  Muyuan Chen et al.
  1.67
• Learning From Limited Data and Feedback for Cell Culture Process Monitoring: A Comparative Study (2025)
  Johnny Peng et al.
  1.61
• Mechanistic Interpretability of Antibody Language Models Using SAEs (2025)
  Rebonto Haque et al.
  1.61
• Sequence-to-Image Transformation for Sequence Classification Using Rips Complex Construction and Chaos Game Representation (2025)
  Sarwan Ali et al.
  1.61
• Clustering Guided Residual Neural Networks for Multi-Tx Localization in Molecular Communications (2025)
  Ali Sonmez et al.
  1.56
• Causal Inference, Biomarker Discovery, Graph Neural Network, Feature Selection (2025)
  Chaowang Lan et al.
  1.56
• MorphGen: Controllable and Morphologically Plausible Generative Cell-Imaging (2025)
  Berker Demirel et al.
  1.50
• scPPDM: A Diffusion Model for Single-Cell Drug-Response Prediction (2025)
  Zhaokang Liang et al.
  1.50
• ProtSAE: Disentangling and Interpreting Protein Language Models via Semantically-Guided Sparse Autoencoders (2025)
  Xiangyu Liu and Haodi Lei and Yi Liu and Yang Liu and Wei Hu
  1.44
• Nanobot Algorithms for Treatment of Diffuse Cancer (2025)
  Noble Harasha et al.
  1.44
• PGCLODA: Prompt-Guided Graph Contrastive Learning for Oligopeptide-Infectious Disease Association Prediction (2025)
  Dayu Tan et al.
  1.44
• Machine learning-based multimodal prognostic models integrating pathology images and high-throughput omic data for overall survival prediction in cancer: a systematic review (2025)
  Charlotte Jennings (1 et al.
  1.33
• Comparison of Optimised Geometric Deep Learning Architectures, over Varying Toxicological Assay Data Environments (2025)
  Alexander D. Kalian et al.
  1.33
• Automating Exploratory Multiomics Research via Language Models (2025)
  Shang Qu et al.
  1.28
• Can a Quantum Support Vector Machine algorithm be utilized to identify Key Biomarkers from Multi-Omics data of COVID19 patients? (2025)
  Junggu Choi et al.
  1.22
• Protein Structure Tokenization: Benchmarking and New Recipe (2025)
  Xinyu Yuan et al.
  1.11
• InfoSEM: A Deep Generative Model with Informative Priors for Gene Regulatory Network Inference (2025)
  Tianyu Cui et al.
  1.11
• Cohort-attention Evaluation Metrics for Tied Data (2025)
  Dongjing Jiang et al.
  1.11
• Identifying Critical Phases for Disease Onset with Sparse Haematological Biomarkers (2025)
  Andrea Zerio et al.
  1.11
• scBIT: Integrating Single-cell Transcriptomic Data into fMRI-based Prediction for Alzheimer's Disease Diagnosis (2025)
  Yu-An Huang et al.
  1.06