This section of the repository contains caffe model files that are usable with GNINA
Breakdown of the different sub-directories
acs2018 -- The models and atom maps used in 2018 Fall ACS National Meeting poster.
Included here is Default2017, Default2018, HiRes Affinity, and HiRes Pose.
affinity -- Legacy models that started the affinity prediction task
crossdocked_paper -- The models and atom maps used in our CrossDocked2020 paper.
Included is Default2017, Default2018, HiRes Affinity, HiRes Pose, and Dense.
data -- Directory containing the raw data used for training and evaluating models.
refmodel3 -- Legacy model. It does not support affinity prediction.