diff --git a/README.md b/README.md index 27e77468d67230e93210ca7ebdd43ff235e9fb1c..46e7a7914866277d230e60b330d0f5423e98bfc5 100644 --- a/README.md +++ b/README.md @@ -1,5 +1,4 @@ -# InDeep : 3D convolutional neural networks to assist in silico drug design -on protein-protein interactions +# InDeep : 3D convolutional neural networks to assist in silico drug design on protein-protein interactions ## Description @@ -11,6 +10,12 @@ These predictions can be visualised easily. ## Setup +### Getting the weights +You can download the wights used for the neural network prediction through this link : +https://mega.nz/file/mEVQUJwR#tqLX-UGo3a8yORmQJB9tYxx7teXF3PyEUBbyVYEnCt0 + +You should copy them to a directory named ROOT_OF_PROJECT/results/weights/HPO/ + ### Packages To run this code, one need to use python with several packages. @@ -38,7 +43,7 @@ To setup the PyMol plugin, just activate your environment and type pymol in the commandline to launch PyMol. Then click on the tab *Plugin* and *Plugin Manager* and on the window that pops, click on the tab *Settings* In this tab, one can *Add new directory...* and select : -```ROOT_OF_PROJECT/DeepInterface/DeepPPI_pymol_script``` +```ROOT_OF_PROJECT/DeepPPI_pymol_script``` Finally, one should quit PyMol and relaunch it by running pymol in the command line. In the tab *Plugin*, there should be a new plugin : *deepPPI Plugin* that one can use directly.