Skip to content

Conversation

@kuryla
Copy link
Contributor

@kuryla kuryla commented Jan 1, 2026

Pre-review checklist for PR author

PR author must check the checkboxes below when creating the PR.

Summary

37Conf8 benchmark dataset for molecular confomer energies. 10.1002/cphc.201801063.

Linked issue

Resolves #

Progress

  • Calculations
  • Analysis
  • Application
  • Documentation

Testing

MACE-OMOL, UMA-OMOL, ORBMOL

New decorators/callbacks

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Labels

None yet

Projects

None yet

Development

Successfully merging this pull request may close these issues.

3 participants