__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
setup.py,sha256=qkMrcCDOLe3B0qxmQSxhY5XDPTS_N0ZXiK74aCRMQmg,1059
grape_chem/__init__.py,sha256=Cwr8Tp0tck13ywjcjgEQJ5fmocPllV8Zgw6AUG0ht4E,243
grape_chem/analysis/__init__.py,sha256=G6_A-gfiz4-UiR47bawMIhVPqKxUTNFPgpJslqPimPY,51
grape_chem/analysis/_classyfire.py,sha256=cULSJUQBJ50MPAgq8I3g8TnWa9zPZ2UtxT84GmWMdIg,9635
grape_chem/analysis/summarize.py,sha256=J1QqGw02Z1TfQkcfbr6o8D6FZgn4R_lBX2kv1-S1tp4,6401
grape_chem/datasets/FreeSolv_dataset.py,sha256=JBwu9l7Yu-IjEzufWWv_DXV_3ShjYNjOPc8aq0Q-qag,4064
grape_chem/datasets/QM9_dataset.py,sha256=kstaBPl5NIfEEVtbYmaPZTinTNEHvtKIyki0ZZamKOQ,4801
grape_chem/datasets/__init__.py,sha256=xwYmi6FU0jl0jXL1Es5vtDq_HnqQ_UCCb2V1QKTqgLQ,133
grape_chem/datasets/jean_claude_bradley_double_plus.py,sha256=PY6QOGnLNyQMNPcilq242uHZDeiDtU-E0HieR2FbhRo,4853
grape_chem/datasets/logP_dataset.py,sha256=ExlwiofbQwCJ16i6vM4nm0LC4xiiN2pzx_s4vNJBGcQ,4726
grape_chem/models/AFP_gnn.py,sha256=7axBTQ8NNJzW3YOdr_qbk-2rqZhg9ivGT2KuSsDgsCU,6592
grape_chem/models/DMPNN_gnn.py,sha256=1v54ieHkqryT-1YdGrkLJJ-JWw7eO5qlhABhUUNHPpo,7672
grape_chem/models/MEGNet_gnn.py,sha256=RxYB4TuYzN1G-j_LURMp9RS7a45JD2X7aQNJDu5Ew8E,12495
grape_chem/models/MPNN_gnn.py,sha256=3z6q8sT3jYFIICykLigo5tJzEYpyUDt8Mw7ERq04D_g,7434
grape_chem/models/Weave_gnn.py,sha256=v-Wc-WRQgyVAJEEBVMVMVxClJrIQzsyXCZKQLQsGV3A,10291
grape_chem/models/__init__.py,sha256=wD-aUySXG11JUkVFOe2fSmxMRYiL6sJ344s91_5I7Ws,149
grape_chem/models/test_models.py,sha256=OnfuZvE2PbS8zjBL6IQhepHvD-YbehJ1Dtmovi04Ma8,3806
grape_chem/plots/__init__.py,sha256=4DU15kU2U7OdUf14m10PDhVZphfFfxBdEe12QNZPDIU,99
grape_chem/plots/analysis_plots.py,sha256=IHpMUCnVLhwM0KMMSfHng8_pXu3HcmS3KOQehPkxt7M,8790
grape_chem/plots/pca_plot.py,sha256=jcKWVS2u4je30-B7lc6u7mYx9zl8_VUcLhvwo3k8gKw,2456
grape_chem/plots/post_plots.py,sha256=CRXhWeAIrn7iUa2lGH26inDJBZOiIWoBYlTrQXUW88k,9428
grape_chem/plots/tSNE.py,sha256=6szb1XMG_IjqM-YbqUaPlfipB2EIpkBkXrgqt3BIyMQ,4537
grape_chem/plots/williamsplot.py,sha256=ckZd1Rfx4jhWh5AZiuRoNj5EF_VTQI7_pswXINP7Ark,2308
grape_chem/splits/__init__.py,sha256=6YwgWA4t80EPHaV5AWvMH3vjYthltkRakryPqp3l27k,28
grape_chem/splits/butina_splits.py,sha256=X5-gR2TxyLbpgz4oiEOSmlWN-ztWt3ufRpHcLuStwnM,10737
grape_chem/utils/__init__.py,sha256=liUIxv8jtt7JU9FY-MsIOXktSobcKAr3CEaVbDumaBE,178
grape_chem/utils/data.py,sha256=29-ksZfDMcHAulH6s3FHhVRRwrrdshbNR8lJKLi7nyg,34668
grape_chem/utils/feature_func.py,sha256=aYkXWaZyeliUXJA6QAPpjPTygbhmjFUzzoMpY4tPEkI,9866
grape_chem/utils/featurizer.py,sha256=bR00PuJQuX5o6f2QzOZwPsTAu8WjEGyMVRX2ybwVDj0,16782
grape_chem/utils/model_utils.py,sha256=pRyzlAgw6V0R1BLtQeVhpp3rBAruEjSnDSPQAOJHepQ,19448
grape_chem/utils/opt_utils.py,sha256=AQGtuSB1vrtmBplYEEq5wOu_TLq1VCOOLNsJBY7adRw,4168
grape_chem/utils/plot_utils.py,sha256=GxnHbRU59uTYFb-mCE041heLtbITBdG5NkXXutoZ69Q,974
grape_chem/utils/split_utils.py,sha256=9oXetSSbRyJ4dLywIy8-Ba39D_z22tM4d-6_8fkaynU,11153
grape_chem-1.0.2.dist-info/LICENSE,sha256=k2GbdDtPiiV2MMB-4yRUFPGabenTnXA1yqFV2d9ty7M,1073
grape_chem-1.0.2.dist-info/METADATA,sha256=hGOnmxokavn3Nft2S11ljQu9tK7CGQckACgOj9Vxe6I,2032
grape_chem-1.0.2.dist-info/WHEEL,sha256=GJ7t_kWBFywbagK5eo9IoUwLW6oyOeTKmQ-9iHFVNxQ,92
grape_chem-1.0.2.dist-info/top_level.txt,sha256=DFGw1OklJIof3f63bAbp6thB_85bYe5gDJ2F6FZ_jys,26
grape_chem-1.0.2.dist-info/RECORD,,
