Meta Modeling for drug discovery.

I am training a meta model for ml based chemical binding prediction on open data. I already have about 1500 hundred fine tunes of binding predictions and the meta model will be used to predict the viability of future fine tunes.

I am also investigating applying symmetry breaking to align binding symmetries with chemical point groups. This could tune the meta model to specific chemistries. If done this would be a new architecture.

I currently have a simple web interface to show the results of my training runs and will be adapting it to output the results of the meta model. It is running locally but I may be able to have it open by the meeting.

A lot of my work has been created with assistance from chatgpt and codex.