Open toushi68 opened 4 years ago
Hi, Just noticed that you are using very long radius to generate MorganFingerprints. for example: https://github.com/aspuru-guzik-group/ORGANIC/blob/b3729377181387d2683cba5434ec311ef577e447/model/custom_metrics.py#L56-L57 and https://github.com/aspuru-guzik-group/ORGANIC/blob/b3729377181387d2683cba5434ec311ef577e447/model/nn_metrics.py#L191-L192 any reasons for those long radius? Thanks!
Hi, Just noticed that you are using very long radius to generate MorganFingerprints. for example: https://github.com/aspuru-guzik-group/ORGANIC/blob/b3729377181387d2683cba5434ec311ef577e447/model/custom_metrics.py#L56-L57 and https://github.com/aspuru-guzik-group/ORGANIC/blob/b3729377181387d2683cba5434ec311ef577e447/model/nn_metrics.py#L191-L192 any reasons for those long radius? Thanks!