velkoborsky / scaffvis Goto Github PK

Having trouble with installation. Followed procedures (download jchem zip and copied required files to scaff-vis folder. Don't appear to find an installation file. Build.sbt looks promising, but not for a windows installation. Please point me to relevant documents/steps.

Thanks,
David

Hi,

I have just started my PhD and am doing a project that involves generating scaffolds for use in deep learning, so have been trying to use your code. Unfortunately I've been having some issues, which I think are largely due to having different versions of JChem and the required libraries. I've also noticed several errors associated with chirality when importing the PubChem files.

When I load the server, there is the error 'Error calculating scaffolds from molecule' and also 'Execution exception[[RuntimeException: java.lang.NoClassDefFoundError: com/chemaxon/marvin/editor/model/properties/NonVisiblePropertyKey]]'

Do you have any ideas about how to solve these errors, or do you have a copy of the version of JChem Suite 16.1.4.0 and its associated libraries that you used to develop this code, that could help me overcome these problems?

I am running Ubuntu 20.04; Java JDK 8; JChem 20.19.0

All the best,
Izzy