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• DeePMD-kit v3: A Multiple-Backend Framework for Machine Learning Potentials
  2025 · 73 citations
• Reasoning-Enhanced Large Language Models for Molecular Property Prediction
  2025 · 8 citations
• Beyond Atoms: Enhancing Molecular Pretrained Representations with 3D Space Modeling
  2025 · 3 citations
• Fused Gromov-Wasserstein Contrastive Learning for Effective Enzyme-Reaction Screening
  2025 · 1 citations
• Innovator-VL: A Multimodal Large Language Model for Scientific Discovery
  2026
• Masked-and-Reordered Self-Supervision for Reinforcement Learning from Verifiable Rewards
  2025
• SynBridge: Bridging Reaction States via Discrete Flow for Bidirectional Reaction Prediction
  2025
• Uni-3DAR: Unified 3D Generation and Understanding via Autoregression on Compressed Spatial Tokens
  2025
• MachineLearningLM: Continued Pretraining Language Models on Millions of Synthetic Tabular Prediction Tasks Scales In-Context ML
  2025
• Uni-SMART: Universal Science Multimodal Analysis and Research Transformer
  2024
• SciLitLLM: How to Adapt LLMs for Scientific Literature Understanding
  2024