lukasturcani/atomlite

Issues

• Need a `set_dict_property` option.

  #68 opened 6 months ago by andrewtarzia
  0

• add benchmarks

  #6 opened 9 months ago by lukasturcani
  0

• Add `add_property_entry` and upsert in update_properties methods

  #65 opened 9 months ago by andrewtarzia
  0

• Check conformer representation

  #16 opened a year ago by lukasturcani
  1

• Add `get_property_entries()`

  #58 opened a year ago by lukasturcani
  0

• Is there a way to delete an entry?

  #56 opened a year ago by andrewtarzia
  2

• Add expected type to get/set property.

  #50 opened a year ago by andrewtarzia
  0

• Issue with defaultdict(list) saving to property.

  #55 opened a year ago by andrewtarzia
  1

• Cheapest get num entires or size of database method

  #51 opened a year ago by andrewtarzia
  0

• A super simple `has_property` or `has_molecule` method for a database.

  #49 opened a year ago by andrewtarzia
  3

• Change `get_` API

  #48 opened a year ago by lukasturcani
  1

• `Database.get_entries` return type is wrong

  #28 opened 2 years ago by lukasturcani
  0

• Utility for projects that require Python<3.11

  #20 opened 2 years ago by austin-mroz
  0

• git tag not used for release number

  #19 opened 2 years ago by lukasturcani
  0

• Commit to database after method calls

  #21 opened 2 years ago by lukasturcani
  0

• add readme

  #9 opened 2 years ago by lukasturcani
  0

• implement property updates

  #17 opened 2 years ago by lukasturcani
  1

• add docs

  #5 opened 2 years ago by lukasturcani
  0

• Add branch protection rules

  #3 opened 2 years ago by lukasturcani
  0

• Add CI

  #2 opened 2 years ago by lukasturcani
  0

• fill in justfile

  #8 opened 2 years ago by lukasturcani
  0

• Add automatic versioning from git tag

  #4 opened 2 years ago by lukasturcani
  0