LICENSE
README.md
setup.py
checkpoints/farscore_default.pth
data/test_dataset/TS1.csv
data/test_dataset/TS2.csv
data/test_dataset/TS3.csv
data/test_dataset/TSA.csv
data/test_dataset/TSB.csv
farscore.egg-info/PKG-INFO
farscore.egg-info/SOURCES.txt
farscore.egg-info/dependency_links.txt
farscore.egg-info/entry_points.txt
farscore.egg-info/not-zip-safe
farscore.egg-info/requires.txt
farscore.egg-info/top_level.txt
model/__init__.py
model/cli.py
model/example.csv
model/farscore.py
model/farscore_finetune.py
model/farscore_pretrain.py
model/scripts/__init__.py
model/scripts/model/AttentiveFPGNN.py
model/scripts/model/__init__.py
model/scripts/model/utils.py
model/scripts/utils/__init__.py
model/scripts/utils/AttentiveFP/AttentiveLayers.py
model/scripts/utils/AttentiveFP/Featurizer.py
model/scripts/utils/AttentiveFP/__init__.py
model/scripts/utils/AttentiveFP/getFeatures.py
model/scripts/utils/mol/AttfpMPNN.py
model/scripts/utils/mol/__init__.py
model/scripts/utils/mol/assemble.py
model/scripts/utils/mol/basic.py
model/scripts/utils/mol/chemutils.py
model/scripts/utils/mol/cls.py
model/scripts/utils/mol/dataset.py
model/scripts/utils/mol/dfs.py
model/scripts/utils/mol/dgl_g.py
model/scripts/utils/mol/filter_valid_smiles.py
model/scripts/utils/mol/fingerprint.py
model/scripts/utils/mol/model.py
model/scripts/utils/mol/pyg.py
model/scripts/utils/nn/__init__.py
model/scripts/utils/nn/create.py