← Features
molecule
molecule_graph
- Quality
- passed
- Dataset
- showcase-chembl v1
- Pipeline version
- molecule_pipeline:0.1.0
- Created
- 8/5/2026, 6:04:04 PM
- Source hash
- 572a3bb55eb3155740ca47ef164af087289c634e81d537e80b08107a57a38d32
- Source file
- 46d6d54b-478c-41ca-8a75-4f6976068e8b
- Location
- features/pubchem/showcase-pubchem/3672.smi.molecule_graph.json
Compatible with
chempropgnn-admet
Checks passed
output_validation:molecule_graphcache_hit
Final output tensor
Download full JSON| Field | Type / shape | Preview |
|---|---|---|
| representation_type | string | "molecule_graph" |
| num_nodes | number | 15 |
| node_features | array[15][13] | [[1,0,0,0,0,0,0,0,0,0,0,1,0],[1,0,0,0,0,0,0,0,0,0,0,3,0],[1,0,0,0,0,0,0,0,0,0,0,1,0],[1,0,0,0,0,0,0,0,0,0,0,2,0],[1,0,0,0,0,0,0,0,0,0,0,3,0],[1,0,0,0,0,0,0,0,0,… |
| edge_index | array[30][2] | [[0,1],[1,0],[1,2],[2,1],[1,3],[3,1],[3,4],[4,3],[4,5],[5,4],[5,6],[6,5],[6,7],[7,6],[7,8],[8,7],[8,9],[9,8],[7,10],[10,7],[10,11],[11,10],[10,12],[12,10],[12,1… |
| edge_features | array[30][1] | [[1],[1],[1],[1],[1],[1],[1],[1],[1.5],[1.5],[1.5],[1.5],[1.5],[1.5],[1.5],[1.5],[1.5],[1.5],[1],[1],[1],[1],[1],[1],[2],[2],[1],[1],[1.5],[1.5]] |