日期:
2020 年 — 2026 年
2020
2021
2022
2023
2024
2025
2026
影响因子:

Design of Organic Electronic Materials With a Goal-Directed Generative Model Powered by Deep Neural Networks and High-Throughput Molecular Simulations

基于深度神经网络和高通量分子模拟的目标导向生成模型的有机电子材料设计

Kwak, H Shaun; An, Yuling; Giesen, David J; Hughes, Thomas F; Brown, Christopher T; Leswing, Karl; Abroshan, Hadi; Halls, Mathew D

MoleculeNet: a benchmark for molecular machine learning

MoleculeNet:分子机器学习的基准测试

Wu, Zhenqin; Ramsundar, Bharath; Feinberg, Evan N; Gomes, Joseph; Geniesse, Caleb; Pappu, Aneesh S; Leswing, Karl; Pande, Vijay