Showing 1–20 of 55 results
/ Date/ Name
Apr 23, 2026Agentic AI-assisted coding offers a unique opportunity to instill epistemic grounding during software developmentApr 23, 2026BioMiner: A Multi-modal System for Automated Mining of Protein-Ligand Bioactivity Data from LiteratureApr 20, 2026Boltzmann Machine Learning with a Parallel, Persistent Markov chain Monte Carlo method for Estimating Evolutionary Fields and Couplings from a Protein Multiple Sequence AlignmentFeb 9, 2026BioLM-Score: Language-Prior Conditioned Probabilistic Geometric Potentials for Protein-Ligand ScoringJan 30, 2026Unveiling Scaling Behaviors in Molecular Language Models: Effects of Model Size, Data, and RepresentationJan 27, 2026PCEvo: Path-Consistent Molecular Representation via Virtual EvolutionaryJan 22, 2026Rethinking Drug-Drug Interaction Modeling as Generalizable Relation LearningOct 8, 2025Evolutionary Profiles for Protein Fitness PredictionAug 14, 2025IBEX: Information-Bottleneck-EXplored Coarse-to-Fine Molecular Generation under Limited DataAug 14, 2025FROGENT: An End-to-End Full-process Drug Design Multi-Agent SystemJun 17, 2025Reimagining Target-Aware Molecular Generation through Retrieval-Enhanced Aligned DiffusionJan 27, 2025Can Molecular Evolution Mechanism Enhance Molecular Representation?Oct 12, 2024EquiJump: Protein Dynamics Simulation via SO(3)-Equivariant Stochastic InterpolantsOct 12, 2024Boltzmann-Aligned Inverse Folding Model as a Predictor of Mutational Effects on Protein-Protein InteractionsAug 17, 2024Fragment-Masked Diffusion for Molecular OptimizationJul 23, 2024The need to implement FAIR principles in biomolecular simulationsJun 5, 2024Floating Anchor Diffusion Model for Multi-motif ScaffoldingApr 19, 2024Molecular Docking via Weighted Subgraph Isomorphism on Quantum AnnealersMar 30, 2024ProLLM: Protein Chain-of-Thoughts Enhanced LLM for Protein-Protein Interaction PredictionFeb 28, 2024StaPep: an open-source tool for the structure prediction and feature extraction of hydrocarbon-stapled peptides