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samsledje / ConPLex

Adapting protein language models and contrastive learning for highly-accurate drug-target interaction prediction.
http://conplex.csail.mit.edu
MIT License
119 stars 32 forks source link

Models weights available? #21

Closed VladVin closed 1 year ago

VladVin commented 1 year ago

Hello @samsledje ! I like the paper, the project and the way you set up this repository with the CI/CD and packaging. I would like to use your models for protein and ligand embeddings extraction to test ConPLex within my benchmark. How can I get access to the models' weights?

samsledje commented 1 year ago

Hi @VladVin, weights for the pre-trained model we used to do experimental validation can be conplex-dti download-ed, or if you want to train on a specific data set, it is pretty fast and lightweight to conplex-dti train a new model -- although right now we only have the benchmark data sets implemented as training data, and it is more difficult to substitute in your own data. This is something we're working on though!

VladVin commented 1 year ago

Great! I din't notice there's a weights link in the code base. Thank you!