file 1	file 2	# same commits	# commits file 1	# commits file 2
python/dgllife/utils/jtvae/mol_tree.py	python/dgllife/utils/jtvae/chemutils.py	2	2	2
python/dgllife/utils/jtvae/vocab.py	python/dgllife/utils/jtvae/chemutils.py	2	2	2
python/dgllife/utils/jtvae/vocab.py	python/dgllife/utils/jtvae/mol_tree.py	2	2	2
python/dgllife/model/model_zoo/__init__.py	python/dgllife/data/pdbbind.py	1	9	6
python/dgllife/model/model_zoo/potentialnet.py	python/dgllife/data/pdbbind.py	1	1	6
python/dgllife/model/model_zoo/potentialnet.py	python/dgllife/model/model_zoo/__init__.py	1	1	9
python/dgllife/utils/complex_to_graph.py	python/dgllife/data/pdbbind.py	1	6	6
python/dgllife/utils/complex_to_graph.py	python/dgllife/model/model_zoo/__init__.py	1	6	9
python/dgllife/utils/complex_to_graph.py	python/dgllife/model/model_zoo/potentialnet.py	1	6	1
python/dgllife/utils/mol_to_graph.py	python/dgllife/data/pdbbind.py	1	10	6
python/dgllife/utils/mol_to_graph.py	python/dgllife/model/model_zoo/__init__.py	1	10	9
python/dgllife/utils/mol_to_graph.py	python/dgllife/model/model_zoo/potentialnet.py	1	10	1
python/dgllife/utils/mol_to_graph.py	python/dgllife/utils/complex_to_graph.py	1	10	6
python/dgllife/utils/analysis.py	python/dgllife/utils/mol_to_graph.py	1	2	10
python/dgllife/utils/featurizers.py	python/dgllife/utils/mol_to_graph.py	1	11	10
python/dgllife/utils/featurizers.py	python/dgllife/utils/analysis.py	1	11	2
python/dgllife/utils/io.py	python/dgllife/utils/mol_to_graph.py	1	4	10
python/dgllife/utils/io.py	python/dgllife/utils/analysis.py	1	4	2
python/dgllife/utils/io.py	python/dgllife/utils/featurizers.py	1	4	11
python/dgllife/utils/jtvae/chemutils.py	python/dgllife/utils/mol_to_graph.py	1	2	10
python/dgllife/utils/jtvae/chemutils.py	python/dgllife/utils/analysis.py	1	2	2
python/dgllife/utils/jtvae/chemutils.py	python/dgllife/utils/featurizers.py	1	2	11
python/dgllife/utils/jtvae/chemutils.py	python/dgllife/utils/io.py	1	2	4
python/dgllife/utils/jtvae/chemutils.py	python/dgllife/model/model_zoo/__init__.py	1	2	9
python/dgllife/utils/jtvae/mol_tree.py	python/dgllife/utils/mol_to_graph.py	1	2	10
python/dgllife/utils/jtvae/mol_tree.py	python/dgllife/utils/analysis.py	1	2	2
python/dgllife/utils/jtvae/mol_tree.py	python/dgllife/utils/featurizers.py	1	2	11
python/dgllife/utils/jtvae/mol_tree.py	python/dgllife/utils/io.py	1	2	4
python/dgllife/utils/jtvae/mol_tree.py	python/dgllife/model/model_zoo/__init__.py	1	2	9
python/dgllife/utils/jtvae/vocab.py	python/dgllife/utils/mol_to_graph.py	1	2	10
python/dgllife/utils/jtvae/vocab.py	python/dgllife/utils/analysis.py	1	2	2
python/dgllife/utils/jtvae/vocab.py	python/dgllife/utils/featurizers.py	1	2	11
python/dgllife/utils/jtvae/vocab.py	python/dgllife/utils/io.py	1	2	4
python/dgllife/utils/jtvae/vocab.py	python/dgllife/model/model_zoo/__init__.py	1	2	9
python/dgllife/utils/splitters.py	python/dgllife/utils/mol_to_graph.py	1	13	10
python/dgllife/utils/splitters.py	python/dgllife/utils/analysis.py	1	13	2
python/dgllife/utils/splitters.py	python/dgllife/utils/featurizers.py	1	13	11
python/dgllife/utils/splitters.py	python/dgllife/utils/io.py	1	13	4
python/dgllife/utils/splitters.py	python/dgllife/utils/jtvae/chemutils.py	1	13	2
python/dgllife/utils/splitters.py	python/dgllife/utils/jtvae/mol_tree.py	1	13	2
python/dgllife/utils/splitters.py	python/dgllife/utils/jtvae/vocab.py	1	13	2
python/dgllife/model/gnn/gat.py	python/dgllife/libinfo.py	1	4	12
python/dgllife/model/model_zoo/gat_predictor.py	python/dgllife/model/gnn/gat.py	1	3	4
python/dgllife/model/pretrain/moleculenet/bace.py	python/dgllife/model/gnn/gat.py	1	3	4
python/dgllife/model/pretrain/moleculenet/bace.py	python/dgllife/model/model_zoo/gat_predictor.py	1	3	3
python/dgllife/model/pretrain/moleculenet/bbbp.py	python/dgllife/model/gnn/gat.py	1	3	4
python/dgllife/model/pretrain/moleculenet/bbbp.py	python/dgllife/model/model_zoo/gat_predictor.py	1	3	3
python/dgllife/model/pretrain/moleculenet/bbbp.py	python/dgllife/model/pretrain/moleculenet/bace.py	1	3	3
python/dgllife/model/pretrain/moleculenet/clintox.py	python/dgllife/model/gnn/gat.py	1	2	4
python/dgllife/model/pretrain/moleculenet/clintox.py	python/dgllife/model/model_zoo/gat_predictor.py	1	2	3
python/dgllife/model/pretrain/moleculenet/clintox.py	python/dgllife/model/pretrain/moleculenet/bace.py	1	2	3
python/dgllife/model/pretrain/moleculenet/clintox.py	python/dgllife/model/pretrain/moleculenet/bbbp.py	1	2	3
python/dgllife/model/pretrain/moleculenet/esol.py	python/dgllife/model/gnn/gat.py	1	2	4
python/dgllife/model/pretrain/moleculenet/esol.py	python/dgllife/model/model_zoo/gat_predictor.py	1	2	3
python/dgllife/model/pretrain/moleculenet/esol.py	python/dgllife/model/pretrain/moleculenet/bace.py	1	2	3
python/dgllife/model/pretrain/moleculenet/esol.py	python/dgllife/model/pretrain/moleculenet/bbbp.py	1	2	3
python/dgllife/model/pretrain/moleculenet/esol.py	python/dgllife/model/pretrain/moleculenet/clintox.py	1	2	2
python/dgllife/model/pretrain/moleculenet/freesolv.py	python/dgllife/model/gnn/gat.py	1	2	4
python/dgllife/model/pretrain/moleculenet/freesolv.py	python/dgllife/model/model_zoo/gat_predictor.py	1	2	3
python/dgllife/model/pretrain/moleculenet/freesolv.py	python/dgllife/model/pretrain/moleculenet/bace.py	1	2	3
python/dgllife/model/pretrain/moleculenet/freesolv.py	python/dgllife/model/pretrain/moleculenet/bbbp.py	1	2	3
python/dgllife/model/pretrain/moleculenet/freesolv.py	python/dgllife/model/pretrain/moleculenet/clintox.py	1	2	2
python/dgllife/model/pretrain/moleculenet/freesolv.py	python/dgllife/model/pretrain/moleculenet/esol.py	1	2	2
python/dgllife/model/pretrain/moleculenet/hiv.py	python/dgllife/model/gnn/gat.py	1	3	4
python/dgllife/model/pretrain/moleculenet/hiv.py	python/dgllife/model/model_zoo/gat_predictor.py	1	3	3
python/dgllife/model/pretrain/moleculenet/hiv.py	python/dgllife/model/pretrain/moleculenet/bace.py	1	3	3
python/dgllife/model/pretrain/moleculenet/hiv.py	python/dgllife/model/pretrain/moleculenet/bbbp.py	1	3	3
python/dgllife/model/pretrain/moleculenet/hiv.py	python/dgllife/model/pretrain/moleculenet/clintox.py	1	3	2
python/dgllife/model/pretrain/moleculenet/hiv.py	python/dgllife/model/pretrain/moleculenet/esol.py	1	3	2
python/dgllife/model/pretrain/moleculenet/hiv.py	python/dgllife/model/pretrain/moleculenet/freesolv.py	1	3	2
python/dgllife/model/pretrain/moleculenet/lipophilicity.py	python/dgllife/model/gnn/gat.py	1	2	4
python/dgllife/model/pretrain/moleculenet/lipophilicity.py	python/dgllife/model/model_zoo/gat_predictor.py	1	2	3
python/dgllife/model/pretrain/moleculenet/lipophilicity.py	python/dgllife/model/pretrain/moleculenet/bace.py	1	2	3
python/dgllife/model/pretrain/moleculenet/lipophilicity.py	python/dgllife/model/pretrain/moleculenet/bbbp.py	1	2	3
python/dgllife/model/pretrain/moleculenet/lipophilicity.py	python/dgllife/model/pretrain/moleculenet/clintox.py	1	2	2
python/dgllife/model/pretrain/moleculenet/lipophilicity.py	python/dgllife/model/pretrain/moleculenet/esol.py	1	2	2
python/dgllife/model/pretrain/moleculenet/lipophilicity.py	python/dgllife/model/pretrain/moleculenet/freesolv.py	1	2	2
python/dgllife/model/pretrain/moleculenet/lipophilicity.py	python/dgllife/model/pretrain/moleculenet/hiv.py	1	2	3
python/dgllife/model/pretrain/moleculenet/muv.py	python/dgllife/model/gnn/gat.py	1	2	4
python/dgllife/model/pretrain/moleculenet/muv.py	python/dgllife/model/model_zoo/gat_predictor.py	1	2	3
python/dgllife/model/pretrain/moleculenet/muv.py	python/dgllife/model/pretrain/moleculenet/bace.py	1	2	3
python/dgllife/model/pretrain/moleculenet/muv.py	python/dgllife/model/pretrain/moleculenet/bbbp.py	1	2	3
python/dgllife/model/pretrain/moleculenet/muv.py	python/dgllife/model/pretrain/moleculenet/clintox.py	1	2	2
python/dgllife/model/pretrain/moleculenet/muv.py	python/dgllife/model/pretrain/moleculenet/esol.py	1	2	2
python/dgllife/model/pretrain/moleculenet/muv.py	python/dgllife/model/pretrain/moleculenet/freesolv.py	1	2	2
python/dgllife/model/pretrain/moleculenet/muv.py	python/dgllife/model/pretrain/moleculenet/hiv.py	1	2	3
python/dgllife/model/pretrain/moleculenet/muv.py	python/dgllife/model/pretrain/moleculenet/lipophilicity.py	1	2	2
python/dgllife/model/pretrain/moleculenet/pcba.py	python/dgllife/model/gnn/gat.py	1	2	4
python/dgllife/model/pretrain/moleculenet/pcba.py	python/dgllife/model/model_zoo/gat_predictor.py	1	2	3
python/dgllife/model/pretrain/moleculenet/pcba.py	python/dgllife/model/pretrain/moleculenet/bace.py	1	2	3
python/dgllife/model/pretrain/moleculenet/pcba.py	python/dgllife/model/pretrain/moleculenet/bbbp.py	1	2	3
python/dgllife/model/pretrain/moleculenet/pcba.py	python/dgllife/model/pretrain/moleculenet/clintox.py	1	2	2
python/dgllife/model/pretrain/moleculenet/pcba.py	python/dgllife/model/pretrain/moleculenet/esol.py	1	2	2
python/dgllife/model/pretrain/moleculenet/pcba.py	python/dgllife/model/pretrain/moleculenet/freesolv.py	1	2	2
python/dgllife/model/pretrain/moleculenet/pcba.py	python/dgllife/model/pretrain/moleculenet/hiv.py	1	2	3
python/dgllife/model/pretrain/moleculenet/pcba.py	python/dgllife/model/pretrain/moleculenet/lipophilicity.py	1	2	2
python/dgllife/model/pretrain/moleculenet/pcba.py	python/dgllife/model/pretrain/moleculenet/muv.py	1	2	2
python/dgllife/model/pretrain/moleculenet/sider.py	python/dgllife/model/gnn/gat.py	1	3	4
python/dgllife/model/pretrain/moleculenet/sider.py	python/dgllife/model/model_zoo/gat_predictor.py	1	3	3
python/dgllife/model/pretrain/moleculenet/sider.py	python/dgllife/model/pretrain/moleculenet/bace.py	1	3	3
python/dgllife/model/pretrain/moleculenet/sider.py	python/dgllife/model/pretrain/moleculenet/bbbp.py	1	3	3
python/dgllife/model/pretrain/moleculenet/sider.py	python/dgllife/model/pretrain/moleculenet/clintox.py	1	3	2
python/dgllife/model/pretrain/moleculenet/sider.py	python/dgllife/model/pretrain/moleculenet/esol.py	1	3	2
python/dgllife/model/pretrain/moleculenet/sider.py	python/dgllife/model/pretrain/moleculenet/freesolv.py	1	3	2
python/dgllife/model/pretrain/moleculenet/sider.py	python/dgllife/model/pretrain/moleculenet/hiv.py	1	3	3
python/dgllife/model/pretrain/moleculenet/sider.py	python/dgllife/model/pretrain/moleculenet/lipophilicity.py	1	3	2
python/dgllife/model/pretrain/moleculenet/sider.py	python/dgllife/model/pretrain/moleculenet/muv.py	1	3	2
python/dgllife/model/pretrain/moleculenet/sider.py	python/dgllife/model/pretrain/moleculenet/pcba.py	1	3	2
python/dgllife/model/pretrain/moleculenet/tox21.py	python/dgllife/model/gnn/gat.py	1	3	4
python/dgllife/model/pretrain/moleculenet/tox21.py	python/dgllife/model/model_zoo/gat_predictor.py	1	3	3
python/dgllife/model/pretrain/moleculenet/tox21.py	python/dgllife/model/pretrain/moleculenet/bace.py	1	3	3
python/dgllife/model/pretrain/moleculenet/tox21.py	python/dgllife/model/pretrain/moleculenet/bbbp.py	1	3	3
python/dgllife/model/pretrain/moleculenet/tox21.py	python/dgllife/model/pretrain/moleculenet/clintox.py	1	3	2
python/dgllife/model/pretrain/moleculenet/tox21.py	python/dgllife/model/pretrain/moleculenet/esol.py	1	3	2
python/dgllife/model/pretrain/moleculenet/tox21.py	python/dgllife/model/pretrain/moleculenet/freesolv.py	1	3	2
python/dgllife/model/pretrain/moleculenet/tox21.py	python/dgllife/model/pretrain/moleculenet/hiv.py	1	3	3
python/dgllife/model/pretrain/moleculenet/tox21.py	python/dgllife/model/pretrain/moleculenet/lipophilicity.py	1	3	2
python/dgllife/model/pretrain/moleculenet/tox21.py	python/dgllife/model/pretrain/moleculenet/muv.py	1	3	2
python/dgllife/model/pretrain/moleculenet/tox21.py	python/dgllife/model/pretrain/moleculenet/pcba.py	1	3	2
python/dgllife/model/pretrain/moleculenet/tox21.py	python/dgllife/model/pretrain/moleculenet/sider.py	1	3	3
python/dgllife/model/pretrain/moleculenet/toxcast.py	python/dgllife/model/gnn/gat.py	1	3	4
python/dgllife/model/pretrain/moleculenet/toxcast.py	python/dgllife/model/model_zoo/gat_predictor.py	1	3	3
python/dgllife/model/pretrain/moleculenet/toxcast.py	python/dgllife/model/pretrain/moleculenet/bace.py	1	3	3
python/dgllife/model/pretrain/moleculenet/toxcast.py	python/dgllife/model/pretrain/moleculenet/bbbp.py	1	3	3
python/dgllife/model/pretrain/moleculenet/toxcast.py	python/dgllife/model/pretrain/moleculenet/clintox.py	1	3	2
python/dgllife/model/pretrain/moleculenet/toxcast.py	python/dgllife/model/pretrain/moleculenet/esol.py	1	3	2
python/dgllife/model/pretrain/moleculenet/toxcast.py	python/dgllife/model/pretrain/moleculenet/freesolv.py	1	3	2
python/dgllife/model/pretrain/moleculenet/toxcast.py	python/dgllife/model/pretrain/moleculenet/hiv.py	1	3	3
python/dgllife/model/pretrain/moleculenet/toxcast.py	python/dgllife/model/pretrain/moleculenet/lipophilicity.py	1	3	2
python/dgllife/model/pretrain/moleculenet/toxcast.py	python/dgllife/model/pretrain/moleculenet/muv.py	1	3	2
python/dgllife/model/pretrain/moleculenet/toxcast.py	python/dgllife/model/pretrain/moleculenet/pcba.py	1	3	2
python/dgllife/model/pretrain/moleculenet/toxcast.py	python/dgllife/model/pretrain/moleculenet/sider.py	1	3	3
python/dgllife/model/pretrain/moleculenet/toxcast.py	python/dgllife/model/pretrain/moleculenet/tox21.py	1	3	3
conda/dgllife/meta.yaml	python/dgllife/libinfo.py	1	8	12
conda/dgllife/meta.yaml	python/dgllife/model/gnn/gat.py	1	8	4
python/dgllife/data/jtvae.py	python/dgllife/model/model_zoo/__init__.py	1	2	9
python/dgllife/data/jtvae.py	python/dgllife/utils/jtvae/chemutils.py	1	2	2
python/dgllife/data/jtvae.py	python/dgllife/utils/jtvae/mol_tree.py	1	2	2
python/dgllife/data/jtvae.py	python/dgllife/utils/jtvae/vocab.py	1	2	2
python/dgllife/model/model_zoo/jtvae.py	python/dgllife/model/model_zoo/__init__.py	1	1	9
python/dgllife/model/model_zoo/jtvae.py	python/dgllife/utils/jtvae/chemutils.py	1	1	2
python/dgllife/model/model_zoo/jtvae.py	python/dgllife/utils/jtvae/mol_tree.py	1	1	2
python/dgllife/model/model_zoo/jtvae.py	python/dgllife/utils/jtvae/vocab.py	1	1	2
python/dgllife/model/model_zoo/jtvae.py	python/dgllife/data/jtvae.py	1	1	2
python/dgllife/model/pretrain/__init__.py	python/dgllife/model/model_zoo/__init__.py	1	3	9
python/dgllife/model/pretrain/__init__.py	python/dgllife/utils/jtvae/chemutils.py	1	3	2
python/dgllife/model/pretrain/__init__.py	python/dgllife/utils/jtvae/mol_tree.py	1	3	2
python/dgllife/model/pretrain/__init__.py	python/dgllife/utils/jtvae/vocab.py	1	3	2
python/dgllife/model/pretrain/__init__.py	python/dgllife/data/jtvae.py	1	3	2
python/dgllife/model/pretrain/__init__.py	python/dgllife/model/model_zoo/jtvae.py	1	3	1
python/dgllife/model/pretrain/generative_models.py	python/dgllife/model/model_zoo/__init__.py	1	2	9
python/dgllife/model/pretrain/generative_models.py	python/dgllife/utils/jtvae/chemutils.py	1	2	2
python/dgllife/model/pretrain/generative_models.py	python/dgllife/utils/jtvae/mol_tree.py	1	2	2
python/dgllife/model/pretrain/generative_models.py	python/dgllife/utils/jtvae/vocab.py	1	2	2
python/dgllife/model/pretrain/generative_models.py	python/dgllife/data/jtvae.py	1	2	2
python/dgllife/model/pretrain/generative_models.py	python/dgllife/model/model_zoo/jtvae.py	1	2	1
python/dgllife/model/pretrain/generative_models.py	python/dgllife/model/pretrain/__init__.py	1	2	3
python/dgllife/utils/__init__.py	python/dgllife/model/model_zoo/__init__.py	1	13	9
python/dgllife/utils/__init__.py	python/dgllife/utils/jtvae/chemutils.py	1	13	2
python/dgllife/utils/__init__.py	python/dgllife/utils/jtvae/mol_tree.py	1	13	2
python/dgllife/utils/__init__.py	python/dgllife/utils/jtvae/vocab.py	1	13	2
python/dgllife/utils/__init__.py	python/dgllife/data/jtvae.py	1	13	2
python/dgllife/utils/__init__.py	python/dgllife/model/model_zoo/jtvae.py	1	13	1
python/dgllife/utils/__init__.py	python/dgllife/model/pretrain/__init__.py	1	13	3
python/dgllife/utils/__init__.py	python/dgllife/model/pretrain/generative_models.py	1	13	2
python/dgllife/utils/jtvae/__init__.py	python/dgllife/model/model_zoo/__init__.py	1	1	9
python/dgllife/utils/jtvae/__init__.py	python/dgllife/utils/jtvae/chemutils.py	1	1	2
python/dgllife/utils/jtvae/__init__.py	python/dgllife/utils/jtvae/mol_tree.py	1	1	2
python/dgllife/utils/jtvae/__init__.py	python/dgllife/utils/jtvae/vocab.py	1	1	2
python/dgllife/utils/jtvae/__init__.py	python/dgllife/data/jtvae.py	1	1	2
python/dgllife/utils/jtvae/__init__.py	python/dgllife/model/model_zoo/jtvae.py	1	1	1
python/dgllife/utils/jtvae/__init__.py	python/dgllife/model/pretrain/__init__.py	1	1	3
python/dgllife/utils/jtvae/__init__.py	python/dgllife/model/pretrain/generative_models.py	1	1	2
python/dgllife/utils/jtvae/__init__.py	python/dgllife/utils/__init__.py	1	1	13
python/dgllife/model/gnn/__init__.py	python/dgllife/model/model_zoo/__init__.py	1	5	9
python/dgllife/model/gnn/pagtn.py	python/dgllife/model/model_zoo/__init__.py	1	1	9
python/dgllife/model/gnn/pagtn.py	python/dgllife/model/gnn/__init__.py	1	1	5
python/dgllife/model/model_zoo/pagtn_predictor.py	python/dgllife/model/model_zoo/__init__.py	1	1	9
python/dgllife/model/model_zoo/pagtn_predictor.py	python/dgllife/model/gnn/__init__.py	1	1	5
python/dgllife/model/model_zoo/pagtn_predictor.py	python/dgllife/model/gnn/pagtn.py	1	1	1
python/dgllife/model/gnn/wln.py	python/dgllife/data/uspto.py	1	3	9