Software Installation Tutorial

Step 1

Install Anaconda3-5.2 or above.

Step 2

nstall or upgrade following libraries (python, numpy, tensorflow, keras, scikit-learn).

Step 3

Download and extract zipped file.

Step 4

Prepare input file (user_input.csv). Calculate molecular properties and fingerprints from SMILES or sdf format of a chemical compound using software’s like PaDel, alvaDesc (recommended), DRAGON, etc. and save as user_input.csv. Keep the header information (first row) as such in input file.

Step 5

Change value of path variable in to the extracted folder and execute the script.