anukratig

Hi I run the following command: python auto-martini --smi "CCCC" --mol NBUT I am getting the following error- ALOGPS can't predict fragment: CCCC Traceback (most recent call last): File "auto-martini.py",...

Dear Tristan I run the pyhton code as suggested. This is what I am getting. 

Yeah it is working on the browser Thanks

All packages are working fine. When i am running the command, it is showing invalid syntax. I am running the following command auto-martini --smi "CCCC" --mol BUT  ![screenshot from...

Now this error is showing