| { | |
| "shards": [ | |
| "shard_000", | |
| "shard_001", | |
| "shard_002", | |
| "shard_003", | |
| "shard_004", | |
| "shard_005", | |
| "shard_006", | |
| "shard_007", | |
| "shard_008", | |
| "shard_009", | |
| "shard_010", | |
| "shard_011", | |
| "shard_012", | |
| "shard_013", | |
| "shard_014", | |
| "shard_015" | |
| ], | |
| "total": 7116053, | |
| "max_len": 120, | |
| "vocab_size": 79, | |
| "properties": [ | |
| "MolWt", | |
| "MolLogP", | |
| "TPSA", | |
| "QED", | |
| "NumHDonors", | |
| "NumHAcceptors", | |
| "NumRotatableBonds", | |
| "NumAromaticRings", | |
| "NumRings", | |
| "FractionCSP3", | |
| "HeavyAtomCount" | |
| ], | |
| "constraints": "default" | |
| } |