File size: 11,451 Bytes
f5a412d ee4807d f5a412d ee4807d f5a412d ee4807d f5a412d ee4807d | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 | 71cbe3ea2ef59215ec5608e1d2f1392c54f5df2fa590f4f25a836087a86ccbe6 chembl3d/processed/atom_tokens.txt
e8f533e310170a31a7e5e5fe125447fbe0253de205966ae295713c98c6ac531c chembl3d/processed/charge_tokens.txt
dfcbe14c3f3202308bace7c7931d39c4a1127b4c6d0daf20f312de512879c71b chembl3d/processed/distributions.pt
42b635ef938d2ec5a601044e4b01f3f84ed121f1bfaac984d86f180a8ccba3fd chembl3d/processed/edge_tokens.txt
e4a51269bb7c838d1f85704f031cb2a013b39520a9692763d5d85bf22e553f09 chembl3d/processed/preprocessing_summary.json
0964154aec035c80023718f416f0e91ec971ad2a234c223fc5b0ec6140cd5db6 chembl3d/processed/test_data.lmdb/data.mdb
a63a29e03b2bee9f407ff21d58ae475ff1f840d5b95f5a73f9b617238beb9a83 chembl3d/processed/test_smiles.txt
c1261d4d5d444c4e8c33f3d7b68bbd94c2a9e59b0631fadba3cb95a5c92eaefb chembl3d/processed/train_data.lmdb/data.mdb
846b41a142616cb25ce44212580ce688843cf908734d17112c22072109813d5e chembl3d/processed/train_smiles.txt
ca4110af1e873dc9740d7e171fc78e1dbbe87db12a434f259751fd0f8520e028 chembl3d/processed/val_data.lmdb/data.mdb
ae06a77206d50f11af8c81021a35e213412528e351c30db4f2317a035e310b2c chembl3d/processed/val_smiles.txt
71cbe3ea2ef59215ec5608e1d2f1392c54f5df2fa590f4f25a836087a86ccbe6 chembl3d_max100/processed/atom_tokens.txt
e8f533e310170a31a7e5e5fe125447fbe0253de205966ae295713c98c6ac531c chembl3d_max100/processed/charge_tokens.txt
c92bdce3e70763f23b3132a910a9939791fd147f98e11f7d6ea9c0e6ef9622b4 chembl3d_max100/processed/distributions.pt
42b635ef938d2ec5a601044e4b01f3f84ed121f1bfaac984d86f180a8ccba3fd chembl3d_max100/processed/edge_tokens.txt
f3f96c96a0b85abc9556262aaf70d6fde1d01e5d241ea53d8795de13ff51629a chembl3d_max100/processed/preprocessing_summary.json
0f2edc2ee5c842b52945833c32007533fff3bd70231b5e8e356a93ea6311e1fd chembl3d_max100/processed/test_data.lmdb/data.mdb
3f57bd8f89c637201a2e6cc1c2e068ff3b8595889c9edc4aad70f7a8d81aad09 chembl3d_max100/processed/test_smiles.txt
48f7047eca65b9dc4d7c605837b84c87cdd173a2861c5f4dd97409b9ac9a9b2c chembl3d_max100/processed/test_source_indices.npy
c2e5b3476d037821c3219e0cc6be79715a05c400d82a254c0cdc9276bf607467 chembl3d_max100/processed/train_data.lmdb/data.mdb
a034d25eabcbfc28937658ced8ce2960b5bae017a9e3137db00d0981ddc6f08b chembl3d_max100/processed/train_smiles.txt
0043264c48c21379f74d02238739b25728d9a836134fba395a1cdc33cf9a0884 chembl3d_max100/processed/train_source_indices.npy
3a5b3c314570492ef513ea97b8c1b7d9d7b47fdbd8c08e2e6673401809fbcb0a chembl3d_max100/processed/val_data.lmdb/data.mdb
52260b2ca81b352dbcc0e2a3ad74950956b1163fd1442aa2f69db3138dae8562 chembl3d_max100/processed/val_smiles.txt
555ccc8732301adf3c9b8c0ab0a768092f78773cec10ae8a65ce201e383f9f87 chembl3d_max100/processed/val_source_indices.npy
c7b8859e8b0fd79dfe48603073fcf10ded2d93da0e8de7a63fcc56515ab4d28f chembl3d_max100_implicit_h/processed/atom_tokens.txt
e8f533e310170a31a7e5e5fe125447fbe0253de205966ae295713c98c6ac531c chembl3d_max100_implicit_h/processed/charge_tokens.txt
ba4101ee7f3284dd2087b15573f1730aaa70ee808d874ced396fcd64d55a66d5 chembl3d_max100_implicit_h/processed/distributions.pt
42b635ef938d2ec5a601044e4b01f3f84ed121f1bfaac984d86f180a8ccba3fd chembl3d_max100_implicit_h/processed/edge_tokens.txt
b9a5a2ce3d95081fbe8cfc458a79aba60862ea4d2a3259c7c9950dba1187026e chembl3d_max100_implicit_h/processed/preprocessing_summary.json
01aad34fa61f0e166ea1f3ee8231b27bbedb484b8803fc95cb0f70a949864ef0 chembl3d_max100_implicit_h/processed/test_data.lmdb/data.mdb
3f57bd8f89c637201a2e6cc1c2e068ff3b8595889c9edc4aad70f7a8d81aad09 chembl3d_max100_implicit_h/processed/test_smiles.txt
48f7047eca65b9dc4d7c605837b84c87cdd173a2861c5f4dd97409b9ac9a9b2c chembl3d_max100_implicit_h/processed/test_source_indices.npy
eba26edde9c74839ba2653a4af1ce99806227c4643f6334a7f010b2b01f2d332 chembl3d_max100_implicit_h/processed/train_data.lmdb/data.mdb
a034d25eabcbfc28937658ced8ce2960b5bae017a9e3137db00d0981ddc6f08b chembl3d_max100_implicit_h/processed/train_smiles.txt
0043264c48c21379f74d02238739b25728d9a836134fba395a1cdc33cf9a0884 chembl3d_max100_implicit_h/processed/train_source_indices.npy
22ffa719244af5f4cd6a5b18dd2d6a7a3658d3fa39413347801fc19a754c03a1 chembl3d_max100_implicit_h/processed/val_data.lmdb/data.mdb
52260b2ca81b352dbcc0e2a3ad74950956b1163fd1442aa2f69db3138dae8562 chembl3d_max100_implicit_h/processed/val_smiles.txt
555ccc8732301adf3c9b8c0ab0a768092f78773cec10ae8a65ce201e383f9f87 chembl3d_max100_implicit_h/processed/val_source_indices.npy
1b1d502fcd2ef2d5a0360981569a22d3ed37e329bd0e9a798c7b0b3b8a681945 crossdocked/processed/crossdocked_summary.json
9afc3adf741d971502eba0cdde9fc0eac74a2595e57d4047f50bec99dcee269b crossdocked/processed/test_data.lmdb/data.mdb
af4a4807852d5f3a12d234e2c9bc8e06481d99ecfb5d83bbdea3f2bccc6defc8 crossdocked/processed/test_ligand_fns.txt
ee43eaf5371ac7f65ac6263134808bd149dc4b261498a4d5bdfe7866f7f81d38 crossdocked/processed/test_smiles.txt
c355aced53655f367ec229abd0a89988076f932c0abbfb95be9ba39e68935580 crossdocked/processed/train_data.lmdb/data.mdb
f45ffda47091258db2a1f2bc4fa9d9a6822e9eac79bc6f057da1dfc45dc18ab4 crossdocked/processed/train_ligand_fns.txt
2c91d870d33deef12b2f894f95a8ddc5dc2c214cf4725bd563ba04fcaf57c077 crossdocked/processed/train_smiles.txt
d2c028113572fdd736a610c723d81079c94c52751834731eddbc4b1ad7e6ac95 crossdocked/processed/val_data.lmdb/data.mdb
7c124ac9edc41f9893ecdb4d3360e94c8c5d75a4a2896da8dbd12ea4139ba4eb crossdocked/processed/val_ligand_fns.txt
c84d91a0198b99b8d0fd2166bd942008938c25589be293b41399d58935fb6b2e crossdocked/processed/val_smiles.txt
9d72a004630c18a481188403831f38951212f29667778a1107a8644660c7ebdc crossdocked/scaffold_groups/70f24e5a9ad03fe9dcc4bb9638986ffecc2a89f664bfe4767778c3577bf6c471/scaffold_test_libinvent_5787bfca22b77a0fa6a5775b7c92bc452469e7bb5838af2b4046291260411ee9.lmdb/data.mdb
305e9e790cf4f7221045aee95b32ab339a719560cd261b6fadae5c3ee79a4240 crossdocked/scaffold_groups/70f24e5a9ad03fe9dcc4bb9638986ffecc2a89f664bfe4767778c3577bf6c471/scaffold_train_libinvent_aa72fed0f06278a451d045e559a1c919de832a8b4ce673fde9997f213f16e5d8.lmdb/data.mdb
d788bcacaaca9a33ec234318e0339a6d47c745e218f7841df3eed8dc37dbabc8 crossdocked/scaffold_groups/70f24e5a9ad03fe9dcc4bb9638986ffecc2a89f664bfe4767778c3577bf6c471/scaffold_val_libinvent_ab8df96e2a732a6d858b28955f7cfeeb3c303884a3572385c0ab8f16c368e4c3.lmdb/data.mdb
c9b712563ad2509593aa48fddbb5145aa42a70c4791255b8eea2984f549cae6a geom/processed/atom_tokens.txt
e2533aa090751f1006a74d165aa2d4a7ac23dbf73a65eb624c2a81216cc7dff5 geom/processed/charge_tokens.txt
40a31704ab58d0349daff35083d43dcf4771ef368fd9c8a8503c94fe844016c5 geom/processed/distributions.pt
42b635ef938d2ec5a601044e4b01f3f84ed121f1bfaac984d86f180a8ccba3fd geom/processed/edge_tokens.txt
747cd401dcd3a361b8181c3d4f125af446a31c8d62150ac793f5b4fbe6571801 geom/processed/scaffold_groups/scaffold_test_8db814489de28e527f87d8750c75363043080fe4718bf6d69eadf58f46b26586.lmdb/data.mdb
56daa9f6313c2563c16601c3c088756a28565909741894f43d6897fbdd9ca96f geom/processed/scaffold_groups/scaffold_test_libinvent_1e641b4a4260a16ef7e3609a64011dd14a54d37526b9f21323da3b0d970f514b.lmdb/data.mdb
72e37d1c0ae91d14f5af0de7bcd10933777adfb234a3573f08917aa28d3d0fd8 geom/processed/scaffold_groups/scaffold_test_linker_8bab1f94f2582726baa492e89298ab4765ad0904a80d382b959e9f86007c38af.lmdb/data.mdb
07d5bef487587b57d5fca6ef07e46eba98f6dcea3d3bd24ecb3bf600cda37606 geom/processed/scaffold_groups/scaffold_train_5ed86e0a75448b44bb61911499efc77d8ce3ef92482d80dc932407bc01e1225f.lmdb/data.mdb
69ee10e0793560c76ced7fa9ff8f5ab9b013559f8e8022e7b4c19db44fd5eb1c geom/processed/scaffold_groups/scaffold_train_libinvent_2b550d56bf5bd0e029c8cd0786e4448e62ea855a4beb100869fba29d406da5d8.lmdb/data.mdb
08e2cae1aecd98de4107e6c81670864b84b8c94c7f975ae0636a3b4a84b05e17 geom/processed/scaffold_groups/scaffold_train_linker_d4dc50b13ae835ee9e65ed76c2046b7188646c78d3238ef59f5d4e281bda48a3.lmdb/data.mdb
a29853a1c753746a78e0b400e05e0008045068e27e095c6ef02ae99d487b0973 geom/processed/scaffold_groups/scaffold_val_1a1bcd01fdc8b388ee3b0c2dab0ae46661b5123d85e6c6a47e59ae7af3853caf.lmdb/data.mdb
59bcf77ea28c10c97130d999ff5d17d32bf4e6557232af9e9f24cdfd5eb1c2d5 geom/processed/scaffold_groups/scaffold_val_libinvent_fcfb6fe607edd87c4cad38851416a934fd1e1cc26a987aa9033ac0fa483bfd81.lmdb/data.mdb
94d9b2fc34c71d5d36567b3c84e05ada882589683f30dd9bd6c19b01654230a9 geom/processed/scaffold_groups/scaffold_val_linker_ab51efea950ff1316d642d23c6d683612e16a618ecd2c2be4aaee667b607657e.lmdb/data.mdb
fed702c06980fabe450d7f652b911a3830ef5aef30f05eef4f4fb3bff7c5559c geom/processed/test_data.lmdb/data.mdb
f172426aba7d3dea24e2a5a74b9f313bce24bfbc227e12caf8e6cc49a31fc194 geom/processed/test_smiles.txt
50d4bce48a9106dd3ea340262d476731a7734e5c56353508fef2ed8777ca5dbc geom/processed/train_data.lmdb/data.mdb
0b7ef0e11a8d7b9191173ce75fe6f301402c87ee4b7c286841a229618558f2e2 geom/processed/train_smiles.txt
fb1658086c3b12c2e396c554790bd39e449d1abac03bc8e21f63489ac526b2fe geom/processed/val_data.lmdb/data.mdb
5b81c5cdc13f203e946ea54648da0d815ef585127447cd4c20416851b3e74e6a geom/processed/val_smiles.txt
f5d5fb17b30809b00de20eeb6fe7b0d93a2a60ffd36339e06e875f5ba882de0c qm9/processed/atom_tokens.txt
e8f533e310170a31a7e5e5fe125447fbe0253de205966ae295713c98c6ac531c qm9/processed/charge_tokens.txt
93d265dd9afcf536270680492e4bf6ba776969d0811a32e918b8a8994189ccc6 qm9/processed/distributions.pt
45ff09c48d164f6add1fa4b61d61564798d49dfebc697bf99a866dca60506d4c qm9/processed/edge_tokens.txt
e409ce5b1c6853122a7993c430fafff30751b180097b71368f7268c2288a2cf3 qm9/processed/pre_filter.pt
e409ce5b1c6853122a7993c430fafff30751b180097b71368f7268c2288a2cf3 qm9/processed/pre_transform.pt
3455dd34a8e979b1dd075887d3ee8087837283f444aac2305ebf2aaa03c0d575 qm9/processed/scaffold_groups/scaffold_test_c3846061e7cc71a06192a65d2e471a32810e6af8d5c702a090be90229e69272f.lmdb/data.mdb
54a2dcd9b5feeb7ac391ff8a7ac20596bd18dc4dae1c6f1c03af3dc8b5bc9a21 qm9/processed/scaffold_groups/scaffold_test_heavy_8fa4bcbcd5eaaa6c6f7fdd207eb1e88f77bf9a7ca73913e2da4ed7587072ac31.lmdb/data.mdb
6e294e35d600576bb45a1387d903b7c518c9b5870932fd740602b750598a179d qm9/processed/scaffold_groups/scaffold_train_79c7df1fe1cbfef72b05683789b1702475b3949ca6978e5f1541a8316b625c47.lmdb/data.mdb
0e77fe1c2a46d254fa7e35f6d7a22b76c32604e16ee006b7c40df8644963bc25 qm9/processed/scaffold_groups/scaffold_train_heavy_8b89ab808dbed5f98db534f316d957cfbeb5eadf5fe83cfb00a500be06eab8d2.lmdb/data.mdb
6147a1595bccc09ee74b3d1a1bd6a2ea095b9612c18181b0764bc3600b31851f qm9/processed/scaffold_groups/scaffold_val_2dbb79a8bc7a1e666ca49a741855e1b02f33cdbaae765388d783cc05a45045ba.lmdb/data.mdb
cdad7b1278cef04e7b633a05accc4ab5d3fc3051b01b2fed9c84c8d910810296 qm9/processed/scaffold_groups/scaffold_val_heavy_5daf736e3c16065d054593c319a9e7123fda91785b6698c9ce2f89576902c734.lmdb/data.mdb
ff01932f4eeb549e2d3553cbd23b0d1576f37f5d0022bdface6a17a53a0571c0 qm9/processed/test.pt
373de39a5f56400cb6292fbf527e78e0ef7a9aedb22f3806c450cbe94cf9cc5b qm9/processed/test_smiles.txt
bb34400d4a23b0780ace72f682a65f79a4c7774948b6125d94d028423885377c qm9/processed/train.pt
fa854f7d2bf76c5c1261d35c4a624ea6bc107a81c3ab26d88b391d39eb3c355a qm9/processed/train_smiles.txt
fbdd9678ad911c8c03ad0bc88c6321005f7d01bafb974c52a0b17bd683850dd2 qm9/processed/val.pt
3da517eb4dce07d46c58255935020d0f2923a8c0900feebf68434b67285b4fbc qm9/processed/val_smiles.txt
99ff279c1be6d63460700f6ab3832ea97f361224165c2bbb70c9ef5ad8cf90ba scaffold_manifest.json
|