reference schnet implementation - Githubissues

choderalab / modelforge

Infrastructure to implement and train NNPs

https://modelforge.readthedocs.io/en/latest/

MIT License

9 stars 4 forks source link

reference schnet implementation #7

Closed wiederm closed 10 months ago

wiederm commented 10 months ago

Description

Provides a SchNET NNP reference implementation

Todos

[ ] TODO 1

Questions

[ ] Question1

Status

[ ] Ready to go