gnina / models

Trained caffe models
82 stars 23 forks source link

Updated tarballs #11

Closed EyalRozenberg1 closed 3 years ago

EyalRozenberg1 commented 3 years ago

With regard to the latest update in data/CrossDocked2020/README.md and the corresponding data.

Has the content of CrossDocked2020_types.tar.gz, CrossDocked2020.tgz changed against CrossDocked2020_v1.1_types.tar.gz, CrossDocked2020_v1.1.tgz?

Eyal

francoep commented 3 years ago

Yes, there was an issue with flattened receptor structures, which resulted in the re-generation of 4830 lines in the types files. The updated types.tar.gz and data .tgz files reflect these changes.

EyalRozenberg1 commented 3 years ago

Thanks