It took a month longer than planned, but I must say, I am really happy to have Cheméo back online! I am not totally sure about the stability of the new system as I am experimenting a bit with a new Docker based deployment system. For the moment, it runs smoothly.
A really nice thing for you is that you can run physical/chemical property predictions using the Joback Method directly in the browser. This is done in real time.
You can also find similar molecules to a target. It is easy because you simply provide the target as a SMILES. If you can't remember the SMILES, you can draw the molecule with an easy to use molecular drawing tool.
The next things to come are:
- adding a bit of copyrights and links to the software used;
- opening the user area to manage your list of molecules;
- opening the access to the regression tools.
But all in all, I am very happy.
Update: Working like a charm, the site is fast and very responsive. I can now start to deploy the more advanced features.