Individual skill

pytdc

Uses the PyTDC package (import tdc, Therapeutics Data Commons) to discover therapeutic ML tasks from tdc.metadata, plan and load approved datasets, apply task-aware splits (random, scaffold, cold_split, combination, time), run evaluator metrics, evaluate benchmark groups such as admet_group, and run bounded molecular-oracle scoring. Use when selecting a TDC task or dataset, planning a download-free split, scoring predictions with TDC evaluators, running a benchmark group evaluation, or checking dataset licenses and cache effects before downloading. Use when scoring molecules with TDC oracles like QED. Not for generic RDKit cheminformatics or training molecule generators.

plugins/KalarisLabs/research-agent-skills/skills/pytdc/SKILL.md

Source commit d780783eba4ecc7c8b9429f95c9362df95f07c61

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Observed behavior

Network or broad shell

Last checked

Nov 4, 2026

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