rxn 开源项目推荐（12 个）

rxn4chemistry /rxnmapper

RXNMapper：无监督注意力引导的原子映射。补充我们在《科学进展》发表的《从化学反应无监督学习中提取有机化学语法》（https://advances.sciencemag.org/content/7/15/eabe4166）。

gomes042 /rxn-units

📐 Cross-Platform Viewport Units (vw, vh, vmin, vmax, percentage) + useUnits hook for React Native, React Native Web and Expo.

rxn4chemistry /rxn-chemutils

Chemistry-related Python utilities used in the RXN universe

rxn4chemistry /rxn-reaction-preprocessing

Preprocessing of datasets of chemical reactions: standardization, filtering, augmentation, tokenization, etc.

rxn4chemistry /rxn-utilities

General Python utilities commonly used in the RXN universe

davidwyly /rxn

Rxn (Reaction) - A fast, simple, and powerful API framework for PHP

rxn4chemistry /rxn-models

Open-source RXN models page

rxn4chemistry /rxn-onmt-models

Training of OpenNMT-based RXN models

quiachonj /molren

MOLecular RENderer: Turn plain-text chemistry into pictures, right inside your notes. Write a SMILES string (or a molfile, SDF, or reaction) in a code block and Molren draws the 2D structure inline

rxn4chemistry /rxn-metrics

Metrics for RXN models

rxn4chemistry /rxn-onmt-utils

OpenNMT-related utilities

molML /fragSMILES4reaction

The official codebase for the reproducible experiments of the paper "Enhancing deep chemical reaction prediction with advanced chirality and fragment representation"