Hugging Face's logo

Datasets:
alagesse
/
gnn-datasets

Modalities:
Tabular
Text
Time-series
Formats:
parquet
Size:
10M - 100M
Libraries:
Datasets
Dask
Polars
Dataset card Data Studio Files
xet
Community
1
alagesse commited on
Commit
4e0e571
·
verified ·
1 Parent(s): 9723269

Upload dataset

Browse files
Files changed (17) hide show
  1. README.md +36 -0
  2. pcqm4mv2-3d/train-00000-of-00016.parquet +3 -0
  3. pcqm4mv2-3d/train-00001-of-00016.parquet +3 -0
  4. pcqm4mv2-3d/train-00002-of-00016.parquet +3 -0
  5. pcqm4mv2-3d/train-00003-of-00016.parquet +3 -0
  6. pcqm4mv2-3d/train-00004-of-00016.parquet +3 -0
  7. pcqm4mv2-3d/train-00005-of-00016.parquet +3 -0
  8. pcqm4mv2-3d/train-00006-of-00016.parquet +3 -0
  9. pcqm4mv2-3d/train-00007-of-00016.parquet +3 -0
  10. pcqm4mv2-3d/train-00008-of-00016.parquet +3 -0
  11. pcqm4mv2-3d/train-00009-of-00016.parquet +3 -0
  12. pcqm4mv2-3d/train-00010-of-00016.parquet +3 -0
  13. pcqm4mv2-3d/train-00011-of-00016.parquet +3 -0
  14. pcqm4mv2-3d/train-00012-of-00016.parquet +3 -0
  15. pcqm4mv2-3d/train-00013-of-00016.parquet +3 -0
  16. pcqm4mv2-3d/train-00014-of-00016.parquet +3 -0
  17. pcqm4mv2-3d/train-00015-of-00016.parquet +3 -0
README.md CHANGED
@@ -65,6 +65,38 @@ dataset_info:
65
  num_examples: 147429
66
  download_size: 298315678
67
  dataset_size: 8428627253
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
68
  - config_name: zinc-250k
69
  features:
70
  - name: mol_id
@@ -112,6 +144,10 @@ configs:
112
  path: pcqm4mv2-2d/test_dev-*
113
  - split: test_challenge
114
  path: pcqm4mv2-2d/test_challenge-*
 
 
 
 
115
  - config_name: zinc-250k
116
  data_files:
117
  - split: train
 
65
  num_examples: 147429
66
  download_size: 298315678
67
  dataset_size: 8428627253
68
+ - config_name: pcqm4mv2-3d
69
+ features:
70
+ - name: mol_id
71
+ dtype: int64
72
+ - name: x
73
+ list:
74
+ list: int64
75
+ length: 9
76
+ - name: edge_index
77
+ list:
78
+ list: int64
79
+ length: 2
80
+ - name: edge_attr
81
+ list:
82
+ list: int64
83
+ length: 3
84
+ - name: pos
85
+ list:
86
+ list: float32
87
+ length: 3
88
+ - name: num_nodes
89
+ dtype: int64
90
+ - name: smiles
91
+ dtype: string
92
+ - name: target
93
+ dtype: float32
94
+ splits:
95
+ - name: train
96
+ num_bytes: 7740140329
97
+ num_examples: 3195733
98
+ download_size: 611920741
99
+ dataset_size: 7740140329
100
  - config_name: zinc-250k
101
  features:
102
  - name: mol_id
 
144
  path: pcqm4mv2-2d/test_dev-*
145
  - split: test_challenge
146
  path: pcqm4mv2-2d/test_challenge-*
147
+ - config_name: pcqm4mv2-3d
148
+ data_files:
149
+ - split: train
150
+ path: pcqm4mv2-3d/train-*
151
  - config_name: zinc-250k
152
  data_files:
153
  - split: train
pcqm4mv2-3d/train-00000-of-00016.parquet ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:4cfd6665f9d145c80a9d943900fa9bade52033c98a993f699f4e1814ec72a36a
3
+ size 39651344
pcqm4mv2-3d/train-00001-of-00016.parquet ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:51e801aea2fb930177312481c561de9d8cacf4f39caa00911941edf7d817d1a9
3
+ size 38747476
pcqm4mv2-3d/train-00002-of-00016.parquet ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:b1a01d966a440c851866b063a8b4ff7c0edc1fd3fe0c0790a3aedc75f503e443
3
+ size 38117732
pcqm4mv2-3d/train-00003-of-00016.parquet ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:72b2cd8af40dcbac236785228dc207b0f59b82ac0ad9a62d76b230e8912f5c9b
3
+ size 37805690
pcqm4mv2-3d/train-00004-of-00016.parquet ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:4c77ebc56ffc4597d447e58b2d7d3609ac79ab5f67e0013edc3c4dd79eee3bf4
3
+ size 38111680
pcqm4mv2-3d/train-00005-of-00016.parquet ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:7ce47a019ef9b0bcb10b4d3933979c38c979dee42b555a24858c4a9919f6c03f
3
+ size 38107088
pcqm4mv2-3d/train-00006-of-00016.parquet ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:8207dcc36d8e6fb054904488373db01e166aa48cd95baff509406059d370d382
3
+ size 38258788
pcqm4mv2-3d/train-00007-of-00016.parquet ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:3858785692ccd4c53c89cd90d70a4cb65904632a70e9b35fbf781988249f93bb
3
+ size 38306777
pcqm4mv2-3d/train-00008-of-00016.parquet ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:cc1b0b96903c81d683bb84ca62ba7b7c88467d439274b9f68a5f585398ebc9ab
3
+ size 37549131
pcqm4mv2-3d/train-00009-of-00016.parquet ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:21c3a44963574da25b5c0aa7670b76074f00a68b71b67f1a1ffac812f3807783
3
+ size 37577113
pcqm4mv2-3d/train-00010-of-00016.parquet ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:925b78e761270bddf0755e458432fc53634b445c8b88eaa1b8706a795941f2e7
3
+ size 38067424
pcqm4mv2-3d/train-00011-of-00016.parquet ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:3ad85208f63104f92f9c9f028d4de79f5951190f0e5eb72ef73609c3c83ed2b2
3
+ size 38230979
pcqm4mv2-3d/train-00012-of-00016.parquet ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:6b0f594500ac528d8b2ac5adb67fcfe8266896f145cf74226acba71ede27f601
3
+ size 37919981
pcqm4mv2-3d/train-00013-of-00016.parquet ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:a72a376af36ac5260fb040d120c901d4e8aa6c34cf1952b3e8ac603868158fb3
3
+ size 37762570
pcqm4mv2-3d/train-00014-of-00016.parquet ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:eacc7a256e8ffa2bd5e265f88a44a67f760c620bead1ff3acd723d2286d0cf01
3
+ size 38037559
pcqm4mv2-3d/train-00015-of-00016.parquet ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:de2806072377c088bf5d6912d9710794040306abcef89e4ba3ac85782410b781
3
+ size 39669409