BigHugger
sk Skill · K-Dense-AI

pytdc

Use Therapeutics Data Commons through the PyTDC Python package for registry discovery, approved dataset access, task-aware splits (scaffold, cold-start, temporal, combination), evaluator metrics, benchmark groups, and bounded molecular-oracle workflows. Use this skill to find which TDC datasets exist for a therapeutic task, load them with a split that does not leak, score predictions with the task's own official…

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Related entries
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Connections
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pythonbashPython
Host repository
K-Dense-AI/drug-discovery-agent-skills
Version
1.2
Allowed tools
Read Write Edit Bash
Compatible with
Requires uv, CPython 3.11, PyTDC 1.1.15, and setuptools 80.9.0 for its legacy pkg_resources runtime import. Dataset, benchmark, checkpoint, and remote-oracle operations require network/storage review and explicit user approval.
Licence
MIT
Host stars
30
Host language
Python