AiiDA-TrainsPot: Towards automated training of neural-network interatomic pot...

Name: AiiDA-TrainsPot: Towards automated training of neural-network interatomic pot...
Published: 2026-03-19T13:15:03+08:00

B2FIND2026-03-19 收录

神经网络原子间势能训练

自动化NNIP工作流

数据链接：

https://b2find.eudat.eu/dataset/201123df-7599-5983-9c45-85645079b792 数据链接链接失效反馈

官方服务：

资源简介：

<p>Crafting neural-network interatomic potentials (NNIPs) remains a complex task, demanding specialized expertise in both machine learning and electronic-structure...

AiiDA-TrainsPot: Towards automated training of neural-network interatomic pot...

资源简介：

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