Smoke upload OC20 manifest
Browse files
oc20/s2ef_train_all/manifest.json
ADDED
|
@@ -0,0 +1,110 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"input_tar": "/ogre/.cache/entaloracle/datasets/oc20/s2ef_train_all/s2ef_train_all.tar",
|
| 3 |
+
"split": "s2ef_train_all",
|
| 4 |
+
"num_shards": 10,
|
| 5 |
+
"num_workers": 20,
|
| 6 |
+
"batch_size": 256,
|
| 7 |
+
"compression": "zstd",
|
| 8 |
+
"compression_level": 3,
|
| 9 |
+
"progress": {
|
| 10 |
+
"progress_dir": "/ogre/atompack-v3/oc20/s2ef_train_all/progress",
|
| 11 |
+
"events_jsonl": "/ogre/atompack-v3/oc20/s2ef_train_all/progress/events.jsonl",
|
| 12 |
+
"log_every_pairs": 10
|
| 13 |
+
},
|
| 14 |
+
"dtype_policy": {
|
| 15 |
+
"positions": "float32",
|
| 16 |
+
"forces": "float32",
|
| 17 |
+
"energy": "float64",
|
| 18 |
+
"cell": "float64",
|
| 19 |
+
"tags": "int32",
|
| 20 |
+
"move_mask": "int32",
|
| 21 |
+
"ref_energy": "float64",
|
| 22 |
+
"free_energy": "float64"
|
| 23 |
+
},
|
| 24 |
+
"stored_properties": [
|
| 25 |
+
"sid",
|
| 26 |
+
"fid",
|
| 27 |
+
"ref_energy",
|
| 28 |
+
"free_energy",
|
| 29 |
+
"frame_idx",
|
| 30 |
+
"source_pair_index",
|
| 31 |
+
"source_shard",
|
| 32 |
+
"tags",
|
| 33 |
+
"move_mask",
|
| 34 |
+
"oc20_split"
|
| 35 |
+
],
|
| 36 |
+
"output_files": [
|
| 37 |
+
"part_0000.atp",
|
| 38 |
+
"part_0001.atp",
|
| 39 |
+
"part_0002.atp",
|
| 40 |
+
"part_0003.atp",
|
| 41 |
+
"part_0004.atp",
|
| 42 |
+
"part_0005.atp",
|
| 43 |
+
"part_0006.atp",
|
| 44 |
+
"part_0007.atp",
|
| 45 |
+
"part_0008.atp",
|
| 46 |
+
"part_0009.atp"
|
| 47 |
+
],
|
| 48 |
+
"results": [
|
| 49 |
+
{
|
| 50 |
+
"shard_index": 0,
|
| 51 |
+
"output_path": "/ogre/atompack-v3/oc20/s2ef_train_all/part_0000.atp",
|
| 52 |
+
"source_pairs": 2679,
|
| 53 |
+
"written": 13395000
|
| 54 |
+
},
|
| 55 |
+
{
|
| 56 |
+
"shard_index": 1,
|
| 57 |
+
"output_path": "/ogre/atompack-v3/oc20/s2ef_train_all/part_0001.atp",
|
| 58 |
+
"source_pairs": 2679,
|
| 59 |
+
"written": 13395000
|
| 60 |
+
},
|
| 61 |
+
{
|
| 62 |
+
"shard_index": 2,
|
| 63 |
+
"output_path": "/ogre/atompack-v3/oc20/s2ef_train_all/part_0002.atp",
|
| 64 |
+
"source_pairs": 2679,
|
| 65 |
+
"written": 13395000
|
| 66 |
+
},
|
| 67 |
+
{
|
| 68 |
+
"shard_index": 3,
|
| 69 |
+
"output_path": "/ogre/atompack-v3/oc20/s2ef_train_all/part_0003.atp",
|
| 70 |
+
"source_pairs": 2679,
|
| 71 |
+
"written": 13395000
|
| 72 |
+
},
|
| 73 |
+
{
|
| 74 |
+
"shard_index": 4,
|
| 75 |
+
"output_path": "/ogre/atompack-v3/oc20/s2ef_train_all/part_0004.atp",
|
| 76 |
+
"source_pairs": 2679,
|
| 77 |
+
"written": 13395000
|
| 78 |
+
},
|
| 79 |
+
{
|
| 80 |
+
"shard_index": 5,
|
| 81 |
+
"output_path": "/ogre/atompack-v3/oc20/s2ef_train_all/part_0005.atp",
|
| 82 |
+
"source_pairs": 2679,
|
| 83 |
+
"written": 13395000
|
| 84 |
+
},
|
| 85 |
+
{
|
| 86 |
+
"shard_index": 6,
|
| 87 |
+
"output_path": "/ogre/atompack-v3/oc20/s2ef_train_all/part_0006.atp",
|
| 88 |
+
"source_pairs": 2679,
|
| 89 |
+
"written": 13394018
|
| 90 |
+
},
|
| 91 |
+
{
|
| 92 |
+
"shard_index": 7,
|
| 93 |
+
"output_path": "/ogre/atompack-v3/oc20/s2ef_train_all/part_0007.atp",
|
| 94 |
+
"source_pairs": 2678,
|
| 95 |
+
"written": 13390000
|
| 96 |
+
},
|
| 97 |
+
{
|
| 98 |
+
"shard_index": 8,
|
| 99 |
+
"output_path": "/ogre/atompack-v3/oc20/s2ef_train_all/part_0008.atp",
|
| 100 |
+
"source_pairs": 2678,
|
| 101 |
+
"written": 13390000
|
| 102 |
+
},
|
| 103 |
+
{
|
| 104 |
+
"shard_index": 9,
|
| 105 |
+
"output_path": "/ogre/atompack-v3/oc20/s2ef_train_all/part_0009.atp",
|
| 106 |
+
"source_pairs": 2678,
|
| 107 |
+
"written": 13390000
|
| 108 |
+
}
|
| 109 |
+
]
|
| 110 |
+
}
|