EdisonScientific/OCSRGlyph

COMO (Closed-loop Optical Molecule recOgnition) is a deep learning framework for Optical Chemical Structure Recognition (OCSR). It recognizes chemical structure diagrams from images and predicts SMILES strings with atom-level 2D coordinates and bond matrices.

1. 概述 2. 数据处理流程 3. 模型架构 4. 损失函数设计 5. 训练流程 6. 配置参数

💻 Github | 📄 Report (Coming soon...) | 🚀 Demo

Directed message passing neural networks for property prediction of molecules and reactions with uncertainty and interpretation.

Another list focuses on Python stuff related to Chemistry.