Dependencies

numpy == 1.17.4

kreas == 2.3.1

Pconsc4 == 0.4

pytorch == 1.3.0

PyG (torch-geometric) == 1.3.2

rdkit == 2019.03.4.0

Dataset

There are some models we have learned which can be find in releases.

PreHandData.py --- prehandle data

python Davis_train.py ---train our model on Davis

test.py --- test the model we have gotten

Name		Name	Last commit message	Last commit date
Latest commit History 11 Commits
Results		Results
Davis_gnn.py		Davis_gnn.py
Davis_train.py		Davis_train.py
Kiba_gnn.py		Kiba_gnn.py
Kiba_train.py		Kiba_train.py
PreHandData.py		PreHandData.py
README.md		README.md
data_process.py		data_process.py
emetrics.py		emetrics.py
message_passing.py		message_passing.py
test.py		test.py
utils.py		utils.py