Work

TheLiaoGroup/RXNGraphormer-Reproduction: License and documentation update

Year: 2026

Type: software

Abstract: This release provides the exact version of the RXNGraphormer-Reproduction code associated with our manuscript, with an emphasis on both reproducibility and reusability. Reproducibility: Includes all scripts for model training, evaluation, and data processing Enables reproduction of the key results reported in the manuscript Reusability: Code is organized into modular components for easy adaptation to new datasets and tasks Clear structure and documented workflows facilitate extension and integration into related research Dependencies and environment setup are specified to support straightforward reuse This version is archived to ensure long-term availability and is linked to a Zenodo DOI. Repository: https://github.com/TheLiaoGroup/RXNGraphormer-Reproduction Please refer to the manuscript for methodological details and experimental settings.

Source: Zenodo (CERN European Organization for Nuclear Research)

DOI: 10.5281/zenodo.19800907

Authors: Zhang, Chonghuan, Zeng, Majian, Lin, Qianghua, Liao, Kuangbiao

Language: English

Topic: Computational Drug Discovery Methods

Subfield: Drug Discovery

Field: Pharmacology, Toxicology and Pharmaceutics

Domain: Life Sciences

Open Access status: green

OpenAlex ID: W7155688705

Cites:

Cited by: 1

Related to: 10