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choderalab / modelforge

Infrastructure to implement and train NNPs
https://modelforge.readthedocs.io/en/latest/
MIT License
9 stars 4 forks source link

Implement SAKE #60

Closed ArnNag closed 5 months ago

ArnNag commented 5 months ago

Description

Implementing the SAKE potential

Status

codecov-commenter commented 5 months ago

Codecov Report

Merging #60 (86178e7) into main (ed63a24) will decrease coverage by 1.88%. The diff coverage is 97.01%.

Additional details and impacted files