STOUT: SMILES to IUPAC names using NMT
A deep-learning neural machine translation approach to translate between SMILES strings and IUPAC names using the STOUT …
Transformers
Struct2IUPAC: Transformers for SMILES to IUPAC
A Transformer-based model for translating between SMILES strings and IUPAC names, trained on 47M PubChem examples, …
Translating InChI to IUPAC Names with Transformers
Sequence-to-sequence Transformer translating InChI identifiers to IUPAC names with 91% accuracy on organic compounds.
ChemVLM: Multimodal LLM for Chemistry
A 26B parameter multimodal LLM for chemistry, combining InternViT-6B and ChemLLM-20B for molecular structure …
DECIMER.ai: Optical Chemical Structure Recognition
Open-source OCSR platform combining Mask R-CNN segmentation and Transformer recognition, trained on 450M+ synthetic …
Dual-Path Global Awareness Transformer (DGAT)
A Transformer-based OCSR model introducing dual-path modules (CGFE and SDGLA) to improve global context awareness and …
Enhanced DECIMER for Hand-Drawn Structure Recognition
An improved encoder-decoder model (EfficientNetV2 + Transformer) for converting hand-drawn chemical structures into …
Image2InChI: SwinTransformer for Molecular Recognition
Deep learning model using improved SwinTransformer encoder and attention-based feature fusion to convert molecular …
MarkushGrapher: Multi-modal Markush Structure Recognition
Multi-modal transformer combining vision, text, and layout encoding to extract complex Markush structures from patent …
MMSSC-Net: Multi-Stage Sequence Cognitive Networks
A deep learning model for Optical Chemical Structure Recognition (OCSR) using SwinV2 and GPT-2 to convert molecular …
MolSight: OCSR with RL and Multi-Granularity Learning
A three-stage OCSR framework using SMILES pretraining, auxiliary bond/coordinate tasks, and reinforcement learning to …
OCSU: Optical Chemical Structure Understanding
OCSU task for translating molecular images into multi-level descriptions. Introduces Vis-CheBI20 dataset and …