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DeepGraphLearning / torchdrug

A powerful and flexible machine learning platform for drug discovery
https://torchdrug.ai/
Apache License 2.0
1.44k stars 200 forks source link

Any plans of implementing more models & releasing pretrained weights? #187

Open jasperhyp opened 1 year ago

jasperhyp commented 1 year ago

Hi! I wonder if you have any plans on implementing more state-of-the-art molecular representation learning models such as those in DeepChem. Others that haven't been incorporated into other libraries such as Transformer-M might also be a good addition. Thank you!

jasperhyp commented 1 year ago

Perhaps would also be interesting to include readily available pretrained model as #167 #44 #130 #63 already suggested. Given you folks' succuess in developing pretraining methods, e.g. GraphMVP, I guess that wouldn't be a problem!