Hi @Artem,
Thank you very much for your quick reply!
Great, thanks, I missed that simple detail!
I’ve also checked the Schrödinger implementation again, but unless you download also the software, I think it shouldn’t work. I receive a license error (as also shown here: PLS, OPLS, PLS-DA, ...)
As a reference:
Where they say:
The extensions will not work without a Schrödinger software installation.
And I’m not sure it would work on a web based app.
About the implementation, very gladly!
As soon as I have a working example I’ll share it here!
Thanks very much again!
Best,
Alessandro