ChemDFM-R: Chemical Reasoner LLM
A 14B-parameter chemical reasoning LLM enhanced with atomized functional group knowledge and mix-sourced distillation …
Datasets
ChemBERTa: Molecular Property Prediction via Transformers
A systematic evaluation of RoBERTa transformers pretrained on 77M PubChem SMILES for molecular property prediction …
MERMaid: Multimodal Reaction Mining
Vision-language pipeline extracting chemical reaction data from PDF figures and tables into structured knowledge graphs …
AtomLenz: Atom-Level OCSR with Limited Supervision
Weakly supervised OCSR framework combining object detection and graph construction to recognize chemical structures from …
ChemReco: Hand-Drawn Chemical Structure Recognition
A deep learning method using EfficientNet and Transformer to convert hand-drawn chemical structures into SMILES codes, …
DECIMER.ai: Optical Chemical Structure Recognition
Open-source OCSR platform combining Mask R-CNN segmentation and Transformer recognition, trained on 450M+ synthetic …
MolGrapher: Graph-based Chemical Recognition
A graph-based deep learning approach for optical chemical structure recognition that outperforms image captioning …
OCSU: Optical Chemical Structure Understanding
OCSU task for translating molecular images into multi-level descriptions. Introduces Vis-CheBI20 dataset and …
Handwritten Chemical Structure Recognition with RCGD
An end-to-end framework (RCGD) and unambiguous markup language (SSML) for recognizing complex handwritten chemical …
MolMiner: Deep Learning OCSR with YOLOv5 Detection
Deep learning OCSR tool using YOLOv5 and MobileNetV2 to extract machine-readable molecular structures from scientific …
SwinOCSR: Vision Transformers for Chemical OCR
Deep learning model using Swin Transformer and Focal Loss for OCSR, achieving 98.58% accuracy on synthetic benchmarks.
Deep Learning for Molecular Structure Extraction
An end-to-end deep learning approach using U-Net and CNN-LSTM to segment and predict chemical structures from document …