GRASP-A3 / validation_report.json
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Release validated A3 Step2 encoder with Colab quickstart
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{
"status": "passed",
"python": "3.12.13",
"runtime_packages": {
"torch": "2.14.1",
"torch-geometric": "2.8.1",
"rdkit": "2025.3.6",
"numpy": "1.26.4",
"pandas": "2.3.3",
"scipy": "1.15.3",
"scikit-learn": "1.7.2",
"safetensors": "0.8.0",
"huggingface-hub": "2.2.0"
},
"tensor_identical_conversion": true,
"strict_load": true,
"source_input_parity": true,
"source_embedding_max_absolute_error": 1.932680606842041e-05,
"encoder_parameters": 93089496,
"embedding_shape": [
7,
768
],
"stereo_controls": {
"enantiomer_relative_l2": 0.02647089585661888,
"ez_relative_l2": 0.034076862037181854
},
"randomized_smiles_relative_l2_max": 3.4795434089573973e-07,
"tiny_adaptation_smokes": {
"regression": {
"method": "frozen",
"train_rows": 8,
"valid_rows": 4,
"epochs": 1,
"save_reload_exact": true,
"benchmark_result": false
},
"binary": {
"method": "full",
"train_rows": 8,
"valid_rows": 4,
"epochs": 1,
"save_reload_exact": true,
"benchmark_result": false
}
},
"loader_tests": "31 tests passed: legacy, A2 and A3 encoder/readout, adaptation, schema and save-reload checks. Pytest temporary files were directed to the workspace.",
"scope": "Installed-wheel CPU checks with real A3 weights and tiny fits; no new downstream benchmark or GPU benchmark.",
"documented_example_passed": true
}