v1.3.0

What's Changed

• Update CM5.png by @sxm13 in #5
• add "keep_connect" by @sxm13 in #6

Full Changelog: v1.2.0...v1.3

v1.2.0

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

v1.1.0

this update inludes a model for REPEAT charges.

v1.0.0

Initial release includes method outlined in Zhao, Chung, Journal of Chemical Theory and Computation, 2024