HeliXonProtein / binding-ddg-predictor

open source repository
Apache License 2.0
123 stars 27 forks source link

Details on the data and mutated PDB input #10

Open aritra90 opened 1 year ago

aritra90 commented 1 year ago

Could share the training, test, and validation splits which you used on SKEMPI v2?

Also, can you highlight how the example mutation PDB file that is included in the github repo was constructed? It'd be great if you could share these details such as the Rosetta Cartesian DDG method or if there are other packages that we could use as it would help us understand the method better and re-use it.

Looking forward to your reply.

Aritra