Other
datamol
A Pythonic wrapper around RDKit with simplified interfaces and sensible defaults. Preferred for standard drug discovery workflows including SMILES parsing, standardization, descriptors, fingerprints, clustering, 3D conformer generation, and parallel processing. Returns native rdkit.Chem.Mol objects. For advanced control or custom parameters, use rdkit directly.
91100Total Score
Core Capability
86 / 100
Functional Suitability
11 / 12
Reliability
10 / 12
Performance & Context
7 / 8
Agent Usability
14 / 16
Human Usability
7 / 8
Security
10 / 12
Maintainability
10 / 12
Agent-Specific
17 / 20
Medical Task
20 / 20 Passed
99A Pythonic wrapper around RDKit with simplified interfaces and sensible defaults. Preferred for standard drug discovery workflows including SMILES parsing, standardization, descriptors, fingerprints, clustering, 3D conformer generation, and parallel processing. Returns native rdkit.Chem.Mol objects. For advanced control or custom parameters, use rdkit directly
4/4
95A Pythonic wrapper around RDKit with simplified interfaces and sensible defaults. Preferred for standard drug discovery workflows including SMILES parsing, standardization, descriptors, fingerprints, clustering, 3D conformer generation, and parallel processing. Returns native rdkit.Chem.Mol objects. For advanced control or custom parameters, use rdkit directly
4/4
93A Pythonic wrapper around RDKit with simplified interfaces and sensible defaults. Preferred for standard drug discovery workflows including SMILES parsing, standardization, descriptors, fingerprints, clustering, 3D conformer generation, and parallel processing. Returns native rdkit.Chem.Mol objects. For advanced control or custom parameters, use rdkit directly
4/4
93Packaged executable path(s): scripts/validate_skill.py
4/4
93End-to-end case for Scope-focused workflow aligned to: A Pythonic wrapper around RDKit with simplified interfaces and sensible defaults. Preferred for standard drug discovery workflows including SMILES parsing, standardization, descriptors, fingerprints, clustering, 3D conformer generation, and parallel processing. Returns native rdkit.Chem.Mol objects. For advanced control or custom parameters, use rdkit directly
4/4
Veto GatesRequired pass for any deployment consideration
Skill Veto✓ All 4 gates passed
✓
Operational Stability
System remains stable across varied inputs and edge cases
PASS✓
Structural Consistency
Output structure conforms to expected skill contract format
PASS✓
Result Determinism
Equivalent inputs produce semantically equivalent outputs
PASS✓
System Security
No prompt injection, data leakage, or unsafe tool use detected
PASSCore Capability86 / 100 — 8 Categories
Functional Suitability
Functional suitability was softened by the legacy issue 'Improve stress-case output rigor'. Stress and boundary scenarios show weaker consistency
11 / 12
92%
Reliability
Related legacy finding for datamol: Improve stress-case output rigor. Stress and boundary scenarios show weaker consistency
10 / 12
83%
Performance & Context
The legacy audit deducted points for datamol in performance context.
7 / 8
88%
Agent Usability
A modest deduction remained in agent usability for datamol in the archived review.
14 / 16
88%
Human Usability
A modest deduction remained in human usability for datamol in the archived review.
7 / 8
88%
Security
The archived evaluation left some headroom for datamol under security.
10 / 12
83%
Maintainability
The archived evaluation left some headroom for datamol under maintainability.
10 / 12
83%
Agent-Specific
The archived deduction in agent specific traces back to: Improve stress-case output rigor. Stress and boundary scenarios show weaker consistency
17 / 20
85%
Core Capability Total86 / 100
Medical TaskExecution Average: 94.6 / 100 — Assertions: 20/20 Passed
99
Canonical
A Pythonic wrapper around RDKit with simplified interfaces and sensible defaults. Preferred for standard drug discovery workflows including SMILES parsing, standardization, descriptors, fingerprints, clustering, 3D conformer generation, and parallel processing. Returns native rdkit.Chem.Mol objects. For advanced control or custom parameters, use rdkit directly
4/4 ✓
95
Variant A
A Pythonic wrapper around RDKit with simplified interfaces and sensible defaults. Preferred for standard drug discovery workflows including SMILES parsing, standardization, descriptors, fingerprints, clustering, 3D conformer generation, and parallel processing. Returns native rdkit.Chem.Mol objects. For advanced control or custom parameters, use rdkit directly
4/4 ✓
93
Edge
A Pythonic wrapper around RDKit with simplified interfaces and sensible defaults. Preferred for standard drug discovery workflows including SMILES parsing, standardization, descriptors, fingerprints, clustering, 3D conformer generation, and parallel processing. Returns native rdkit.Chem.Mol objects. For advanced control or custom parameters, use rdkit directly
4/4 ✓
93
Variant B
Packaged executable path(s): scripts/validate_skill.py
4/4 ✓
93
Stress
End-to-end case for Scope-focused workflow aligned to: A Pythonic wrapper around RDKit with simplified interfaces and sensible defaults. Preferred for standard drug discovery workflows including SMILES parsing, standardization, descriptors, fingerprints, clustering, 3D conformer generation, and parallel processing. Returns native rdkit.Chem.Mol objects. For advanced control or custom parameters, use rdkit directly
4/4 ✓
99
Canonical✅ Pass
A Pythonic wrapper around RDKit with simplified interfaces and sensible defaults. Preferred for standard drug discovery workflows including SMILES parsing, standardization, descriptors, fingerprints, clustering, 3D conformer generation, and parallel processing. Returns native rdkit.Chem.Mol objects. For advanced control or custom parameters, use rdkit directly
The archived run for A Pythonic wrapper around RDKit with simplified interfaces and... confirmed the helper entrypoint and left the workflow in a stable state.
Basic 38/40|Specialized 60/60|Total 99/100
✅A1The datamol output structure matches the documented deliverable
✅A2The script execution path completed successfully for the documented case
✅A3The output stays fully within the documented skill boundary
✅A4The response quality is acceptable for the documented path
Pass rate: 4 / 4
95
Variant A✅ Pass
A Pythonic wrapper around RDKit with simplified interfaces and sensible defaults. Preferred for standard drug discovery workflows including SMILES parsing, standardization, descriptors, fingerprints, clustering, 3D conformer generation, and parallel processing. Returns native rdkit.Chem.Mol objects. For advanced control or custom parameters, use rdkit directly
The archived run for A Pythonic wrapper around RDKit with simplified interfaces and... confirmed the helper entrypoint and left the workflow in a stable state.
Basic 36/40|Specialized 59/60|Total 95/100
✅A1The datamol output structure matches the documented deliverable
✅A2The script execution path completed successfully for the documented case
✅A3The output stays fully within the documented skill boundary
✅A4The response quality is acceptable for the documented path
Pass rate: 4 / 4
93
Edge✅ Pass
A Pythonic wrapper around RDKit with simplified interfaces and sensible defaults. Preferred for standard drug discovery workflows including SMILES parsing, standardization, descriptors, fingerprints, clustering, 3D conformer generation, and parallel processing. Returns native rdkit.Chem.Mol objects. For advanced control or custom parameters, use rdkit directly
The archived run for A Pythonic wrapper around RDKit with simplified interfaces and... confirmed the helper entrypoint and left the workflow in a stable state.
Basic 35/40|Specialized 58/60|Total 93/100
✅A1The datamol output structure matches the documented deliverable
✅A2The script execution path completed successfully for the documented case
✅A3The output stays fully within the documented skill boundary
✅A4The response quality is acceptable for the documented path
Pass rate: 4 / 4
93
Variant B✅ Pass
Packaged executable path(s): scripts/validate_skill.py
For Packaged executable path(s): scripts/validate_skill.py, the preserved evidence is lightweight but positive: the packaged validation command behaved as expected.
Basic 34/40|Specialized 59/60|Total 93/100
✅A1The datamol output structure matches the documented deliverable
✅A2The script execution path completed successfully for the documented case
✅A3The output stays fully within the documented skill boundary
✅A4The response quality is acceptable for the documented path
Pass rate: 4 / 4
93
Stress✅ Pass
End-to-end case for Scope-focused workflow aligned to: A Pythonic wrapper around RDKit with simplified interfaces and sensible defaults. Preferred for standard drug discovery workflows including SMILES parsing, standardization, descriptors, fingerprints, clustering, 3D conformer generation, and parallel processing. Returns native rdkit.Chem.Mol objects. For advanced control or custom parameters, use rdkit directly
The archived run for A Pythonic wrapper around RDKit with simplified interfaces and sensible defaults. Preferred... confirmed the helper entrypoint and left the workflow in a stable state.
Basic 31/40|Specialized 60/60|Total 93/100
✅A1The datamol output structure matches the documented deliverable
✅A2The script execution path completed successfully for the documented case
✅A3The output stays fully within the documented skill boundary
✅A4The response quality is acceptable for the documented path
Pass rate: 4 / 4
Medical Task Total94.6 / 100
Key Strengths
- Primary routing is Other with execution mode B
- Static quality score is 86/100 and dynamic average is 81.6/100
- Assertions and command execution outcomes are recorded per input for human review
- Execution verification summary: Script verification 1/1; adjustment=5. validate_skill.py: OK