https://sourceforge.net/p/crp-chemicalreactionprediction/activity/Recent activity for CRP - Chemical Reaction PredictionenFri, 16 Nov 2018 12:43:43 -0000https://sourceforge.net/p/crp-chemicalreactionprediction/tickets/1/?limit=25#d24cMore than 32 Gb RAM is required to train the entire dataset. Code for training the entire dataset: https://www.kaggle.com/mmelahi/organic-chemistry-reaction-prediction?scriptVersionId=7438604Manzoor ElahiFri, 16 Nov 2018 12:43:43 -0000https://sourceforge.net/p/crp-chemicalreactionprediction/tickets/1/?limit=25#d24chttps://sourceforge.net/p/crp-chemicalreactionprediction/tickets/1/?limit=25#2415Thanks. Now it works as expected. Any reason you trained on only 10,000 reactions? How can I re-train the model on the entire dataset?Sachin AgrawalFri, 16 Nov 2018 10:43:04 -0000https://sourceforge.net/p/crp-chemicalreactionprediction/tickets/1/?limit=25#2415https://sourceforge.net/p/crp-chemicalreactionprediction/tickets/1/?limit=25#86b5Spaces should be added. "N C @ @ H C ( = O ) O . S = C = S". Also, I've not trained the model on the entire dataset, which has nearly 1 million reactions. I've used only 10,000 reactions of small length.Manzoor ElahiWed, 14 Nov 2018 10:45:55 -0000https://sourceforge.net/p/crp-chemicalreactionprediction/tickets/1/?limit=25#86b5https://sourceforge.net/p/crp-chemicalreactionprediction/tickets/1/?limit=25#8fa9Thanks for the reply. I had to change the keras backend on my machine. Now the program opens up. However, no matter what input I give I get the same output now. For example, when I enter : NC@@HC(=O)O.S=C=S I get the following as the predicted smile: OCCCOCCOCC This does not make sense as it does not fllow basic principles of atom conservation. Is there a step which I am missing for running the software?Sachin AgrawalTue, 13 Nov 2018 18:43:27 -0000https://sourceforge.net/p/crp-chemicalreactionprediction/tickets/1/?limit=25#8fa9https://sourceforge.net/p/crp-chemicalreactionprediction/tickets/1/?limit=25#eaeaI have used tensorflow as the backend to keras. So, try installing tensorflow.Manzoor ElahiTue, 13 Nov 2018 11:14:19 -0000https://sourceforge.net/p/crp-chemicalreactionprediction/tickets/1/?limit=25#eaeahttps://sourceforge.net/p/crp-chemicalreactionprediction/tickets/1/Theano not found issueSachin AgrawalMon, 12 Nov 2018 18:49:33 -0000https://sourceforge.net/p/crp-chemicalreactionprediction/tickets/1/https://sourceforge.nethttps%3A//sourceforge.net/projects/crp-chemicalreactionprediction/files/CRP_V2.exe/downloadCRP - Chemical Reaction PredictionWed, 07 Nov 2018 08:12:02 -0000https://sourceforge.net/projects/crp-chemicalreactionprediction/files/CRP_V2.exe/downloadhttps://sourceforge.nethttps%3A//sourceforge.net/projects/crp-chemicalreactionprediction/files/CRP_GUI.tar.gz/downloadCRP - Chemical Reaction PredictionFri, 13 Jul 2018 08:27:02 -0000https://sourceforge.net/projects/crp-chemicalreactionprediction/files/CRP_GUI.tar.gz/downloadhttps://sourceforge.nethttps%3A//sourceforge.net/projects/crp-chemicalreactionprediction/files/CRP_GUI.exe/downloadCRP - Chemical Reaction PredictionFri, 13 Jul 2018 03:37:02 -0000https://sourceforge.net/projects/crp-chemicalreactionprediction/files/CRP_GUI.exe/download