Tracked topic
… The following papers were recommended by the Semantic Scholar API Fused Bayesian Flow Networks for Dual-Target Molecular Design 2026 DBMol: Design of High-Affinity, Target-Specific Small Molecules through Structure Prediction Models 2026 Sesame: Structure-Aware Molecular Generation via Spatial Dens… …
… The following papers were recommended by the Semantic Scholar API ToolMol: Evolutionary Agentic Framework for Multi-objective Drug Discovery 2026 Multi-Objective Molecular Generation with Frequency-Controlled Evolutionary Dynamics 2026 My Chemical Harness: Evolutionary Molecular Design over Synthet… …
… The following papers were recommended by the Semantic Scholar API Molexar: A Unified Multimodal Molecular Foundation Model for Drug Design 2026 Please give a thumbs up to this comment if you found it helpful! …
… Built upon the Qwen3 language model 1.7B and 4B , BioMatrix is continually pretrained on 304.4 billion tokens spanning general and domain-specific text, sequence and structure views of molecules and proteins, and cross-modal corpora that interleave biomolecular entities with scientific text and lin… …
… The following papers were recommended by the Semantic Scholar API Molexar: A Unified Multimodal Molecular Foundation Model for Drug Design 2026 HEDGEHOG: Hierarchical Evaluation of Drug Generators Through Rigorous Filtration 2026 Generating Developable 3D Molecules via Pocket-Conditioned Diffusion … …
… Based on this, we introduce EDMolGPT, a decoder-only autoregressive framework that generates molecules from low-resolution ED point clouds. By grounding generation in physically meaningful density signals, EDMolGPT mitigates structural bias and produces molecules with 3D conformations . …
… Here we introduce SciReasoner, a multimodal scientific foundation model for native structural reasoning across proteins, small molecules and inorganic crystals. …
… Generated by Qwen/Qwen2.5-Coder-32B-Instruct A long standing challenge in computational chemistry and biophysics is efficiently sampling the Boltzmann distribution of molecules. …
… These capabilities demonstrate that tri-modal alignment via Haiku enables integrative analysis of spatial biology, bridging molecular measurements with clinical context for biological exploration. …
… We evaluate S GRPO on de novo small-molecule design , pocket-based small-molecule design , and de novo protein design , instantiating it with both GRPO and Coupled- GRPO across autoregressive and discrete diffusion generators . …