Rong2020 - Grover-QM7: Atomization energy prediction of small molecules.
收藏NIAID Data Ecosystem2026-05-02 收录
下载链接：
https://www.omicsdi.org/dataset/biomodels/MODEL2406040003
下载链接
链接失效反馈官方服务：
资源简介：
This model has been trained using the GROVER embedding with the QM7 dataset from MoleculeNet, a subset of GDB13 containing all molecules up to 23 atoms (7 heavy atoms + C, S, O, N). This dataset contains the computed atomization energy of 7165 molecules.
Model Type: Molecular properties prediction ML model.
Model Relevance: Predicts the atomization energy of a molecule.
Model Encoded by: Amna Ali (Ersilia)
Metadata Submitted in BioModels by: Zainab Ashimiyu-Abdusalam
Implementation of this model code by Ersilia is available here:
https://github.com/ersilia-os/eos6o0z
创建时间：
2024-06-04
