thermophysical-curator
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Alternatives to thermophysical-curator
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- FlicenseNot gradedqualityDmaintenanceEnables prediction of blood-brain barrier permeability for drug molecules via machine learning, with molecule name lookup, plain-language explanations, similar drug search, and applicability domain checks. Exposes these as MCP tools and orchestrates them via a LangGraph agent.-
- FlicenseNot gradedqualityDmaintenanceEnables molecular visualization and analysis from SMILES strings using multiple rendering approaches (RDKit, NetworkX, Plotly, matplotlib), providing detailed molecular properties, validation, and batch processing capabilities for chemical structures.-
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TDQS
Scored across 6 tools
Each tool has a distinct role: SMILES validation, JR-MPNN prediction, training-similarity/applicability-domain assessment, UManSysProp estimation, record curation, and a capabilities meta-tool. The two property-prediction tools (predict_jrmpnn and estimate_umansysprop) overlap in output but are clearly separated by method, so mild confusion is possible but descriptions resolve it.
Names are uniformly snake_case with clear verb_noun structure (inspect_molecule, predict_jrmpnn, assess_jrmpnn_training_similarity, estimate_umansysprop, curate_thermophysical_records). The lone noun-only server_capabilities is a minor deviation from the verb-led pattern.
Six tools is well-scoped for a thermophysical prediction-and-curation server, with each tool covering a coherent responsibility. No tool feels redundant or missing at the count level.
The surface covers the core lifecycle: molecule validation, two prediction paths, applicability-domain assessment, curation with audit trail, and a capabilities descriptor. Batch prediction/curation or result-export operations are not exposed, but the primary workflows are covered without obvious dead ends.