Conversion

Conversion#

To convert a trained model from Chemprop v1 to v2, run chemprop convert and specify:

  • --input-path <path> Path of the Chemprop v1 file to convert.

  • --output-path <path> Path where the converted Chemprop v2 model will be saved. If unspecified, this will default to <CURRENT_DIRECTORY/STEM_OF_INPUT>_v2.pt.

To convert a trained model from Chemprop v2.0.x to v2.1.y (or newer), run chemprop convert --conversion v2_0_to_v2_1 and additionally specify:

  • --input-path <path> Path of the Chemprop v2.0 file to convert.

  • --output-path <path> Path where the converted Chemprop v2.1 model will be saved. If unspecified, this will default to <CURRENT_DIRECTORY/STEM_OF_INPUT>_v2_1.pt.