wacl-york / mcm-web

Code for the MCM web application
1 stars 2 forks source link

Smiles sub-string matching #174

Open stulacy opened 1 year ago

stulacy commented 1 year ago

The current website uses OpenBabel to find Smiles substrings. There aren't currently any Ruby bindings so the search is limited to a plaintext substring. It would be nice to get this original functionality working in the new app.