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Room-Temperature Decomposition of the Ethaline Deep Eutectic Solvent

NIAID Data Ecosystem2026-05-02 收录

深共晶溶剂稳定性

机器学习势函数

数据链接：

https://zenodo.org/records/15059284 数据链接链接失效反馈

官方服务：

资源简介：

Allegro models (MLIP-0,1,2, and 3), along with all training data FLARE sample training scripts

应用场景：

创建时间：

2025-03-20

分子力场开发

机器学习势函数

Curated SPICE 1 OpenFF Dataset: Full dataset, version "full_dataset_v2": This provides a curated hdf5 file for the SPICE 1 OpenFF dataset (Open Force Field initiative default level of theory) design

NIAID Data Ecosystem70

MTP as a promising tool to study diffusion - processed data

机器学习势函数

材料扩散研究

This is an example of the output files of a typical MTP active learning on-the-fly calculation (see the raw data for details).

Mendeley Data30

Datasets and codes supporting "Machine-Learning Bond-Order Potential for Exploring the Configuration Space of Carbon"

机器学习势函数

材料计算模拟

This provides the datasets and codes supporting "Machine-Learning Bond-Order Potential for Exploring the Configuration Space of Carbon". MLBOP_trainer.tar.gz The PyTorch implementation of MLBOP f

Zenodo2025-06-10 更新30

Data for: Performance of two complementary machine-learned potentials in mode...

机器学习势函数

化学模拟

Data for the publication "Performance of two complementary machine-learned potentials in modelling chemically complex systems", npj. Comp. Mat. This data set contains the...

B2FIND60

PaiNN dataset and model for LiGa(SeO3)2

机器学习势函数

分子动力学模拟

Can be used to run MD with the NeuralForceField repository. Units for the dataset are: kcal/mol for energy, kcal/mol-Å for forces, Å for units of length.

Figshare2023-12-16 更新30

Room-Temperature Decomposition of the Ethaline Deep Eutectic Solvent

资源简介：

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