Datasets › tdcommons
tdcommons (Therapeutics Data Commons)
Therapeutics Data Commons is an open-science initiative with AI/ML-ready datasets and AI/ML tasks for therapeutics, spanning the discovery and development of safe and effective medicines. TDC provides an ecosystem of tools, libraries, leaderboards, and community resources, including data functions, strategies for systematic model evaluation, meaningful data splits, data processors, and molecule generation oracles. All resources are integrated via an open Python library.
Benchmarks archive 2025-07-28
All 1 leaderboard whose dataset resolves to this page shown (sort by any header). "First row" is the archive's own first row at snapshot, in the archive's row order; nothing here re-ranks and metric direction is not asserted.
| First row (archive order) | Paper | Code | ||||
|---|---|---|---|---|---|---|
| TDC ADMET Benchmarking Group | tdcommons | MapLight TDC.Caco2_Wang 0.276 | ADMET property prediction through combinations of... | maplightrx/maplight-tdc | 12 | Compare |
Papers archive 2025-07-28
5 shown of 5 papers with a leaderboard row on this dataset's benchmarks, newest first. The archive's own "papers using this dataset" list was never published, so this is the benchmark-backed subset; the archive's count for this dataset is 6. The Syntology column is from Syntology's graph (read 2026-09-24), stated per sample; it is not part of any archive number.
| Date | Samples run Syntology | |||
|---|---|---|---|---|
| DeepMol: An Automated Machine and Deep Learning Framework for Computational Chemistr | 1 | 1 | 1 Jun 2024 | not harvested |
| ADMET property prediction through combinations of molecular fingerprints | 1 | 1 | 29 Sep 2023 | not harvested |
| Galactica: A Large Language Model for Science | 1 | 5 | 16 Nov 2022 | ran 0 of 2 samples (2 unverified) |
| Accurate ADMET Prediction with XGBoost | 1 | 1 | 15 Apr 2022 | not harvested |
| Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development | 2 | 4 | 18 Feb 2021 | ran 1 of 1 samples (0 unverified) |
Dataset loaders archive 2025-07-28
1 loader as listed in the archive; links are outbound and not re-checked here.
Tasks archive 2025-07-28
License archive 2025-07-28
Modalities archive 2025-07-28
No modality tagged.
Languages archive 2025-07-28
Variants archive 2025-07-28
- tdcommons
1 variant name, as the archive lists them.
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