Neural Networks for Reactions (NNREAX)

Datasets

System	Number of structures	Method
Methane	578,731	MN15/6-31G**
Dodecane	35,496	MN15/6-31G**
CL-20	9,438	PBE-D3

System	Software	Citation
Dodecane	DeePMD-kit v1.2

System	Software	Citation
Dodecane	DP-GEN v0.8
CL-20	DP-GEN v0.8

Name	Name	Last commit message	Last commit date
Latest commit njzjz fix badge May 27, 2022 528d901 · May 27, 2022 History 18 Commits
cl20	cl20	add cl20 doc (#1 )	May 27, 2022
dodecane	dodecane	Fix broken badges	Apr 24, 2021
methane	methane	Fix broken badges	Apr 24, 2021
LICENSE	LICENSE	Create LICENSE	Jun 17, 2020
README.md	README.md	fix badge	May 27, 2022