diff --git a/README.md b/README.md index 29f632c..7cdad30 100644 --- a/README.md +++ b/README.md @@ -1,4 +1,4 @@ -# PolymerStructurePredictor (PSP) +# PolymerStructurePredictor (PSP) [![Open In Colab](https://colab.research.google.com/assets/colab-badge.svg)][1] Three-dimensional atomic-level models of polymers are necessary prerequisites for physics-based simulation studies. Polymer structure predictor (PSP) is capable of generating a hierarchy of polymer models, ranging from oligomers to infinite chains to crystals to amorphous models, using a simplified molecular-input line-entry system (SMILES) string of the polymer repeat unit as the primary input. The output structures and accompanying force field (GAFF2/OPLS-AA) parameter files are provided for downstream DFT and MD simulations. @@ -54,5 +54,7 @@ Once all dependencies are installed, clone the PSP repository and install it usi ```angular2 python setup.py install ``` ->**NOTE**: A colab notebook that demonstrates the step-by-step installation procedure and installs PSP and its dependencies has been provided. +>**NOTE**: A colab notebook that demonstrates the step-by-step installation procedure and installs PSP and its dependencies has been provided. [![Open In Colab](https://colab.research.google.com/assets/colab-badge.svg)][1] + +[1]:https://colab.research.google.com/github/Ramprasad-Group/PSP/blob/master/Colab_notebook/psp_Colab_notebook.ipynb