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v1.2.0

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@sxm13 sxm13 released this 18 Sep 09:00
· 9 commits to main since this release
d60e753

Update the REPEAT model, the dataset (21,392 CIFs) from ARC-MOF database by diversity selection. Please not that we just used the charges data to train the model, we are not sure the partial charge is correct or not.

What's Changed

  • fix cif name with version in the cif name by @sxm13 in #1
  • upload figure by @sxm13 in #2
  • fix models name and update new repeat by @sxm13 in #3
  • update REPEAT charge by @sxm13 in #4

New Contributors

  • @sxm13 made their first contribution in #1

Full Changelog: v1.1...v1.2.0