news

Feb 22, 2026 We submitted a preprint titled “Stereoelectronic-aware catalyst embeddings from 2D graphs via 2D-3D multi-view alignment” to ChemRxiv.
Jan 28, 2026 We submitted a preprint titled “A unified framework for automated transition state generation to accelerate mechanistic exploration in organic synthesis” to ChemRxiv.
Jan 07, 2026 We submitted a preprint titled “A Pre-trained Reaction Embedding Descriptor Capturing Bond Transformation Patterns” to arXiv.
Aug 19, 2025 Our paper titled “A unified pre-trained deep learning framework for cross-task reaction performance prediction and synthesis planning” has been published on Nature Machine Intelligence.
Jul 02, 2025 We submitted a preprint titled “A unified pre-trained deep learning framework for cross-task reaction performance prediction and synthesis planning” to ResearchSquare.