pytdc
k-dense-ai1.6k installs
Work with drug-discovery datasets and benchmarks.
What it does
Loads therapeutic machine-learning datasets, prepares suitable splits, evaluates predictions, and scores molecules through PyTDC.
When to use it
Use when working with TDC therapeutic machine-learning datasets or benchmarks.
How to use it
Give it a therapeutic-data request; it returns bounded discovery, split, evaluation, or molecular-scoring summaries, confirming download scope before execution.
Uses
DA
TD
Good to know
- advertises something the task does not need
Latest review
What you need · 3
Requires uv for the documented environment setup and CLI invocations.
Uses CPython 3.11 as the reproducible runtime target because the dependency constraints exclude newer interpreters.
Access · 4
This skill
Harvard Dataverse
Read
Downloads approved datasets and benchmarks
TDC task pages
Read
Checks dataset licenses and terms