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Training and evaluation data, with the modality, task and licence stated up front. Listed live from the Hugging Face Hub.

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01walledai /TDC23-RedTeaming TDC 2023 (LLM Edition) - Red Teaming Track This is the combined dev and test set from the Red Teaming Track of TDC 2023. Citation If find this dataset useful, please cite the following work: @inproceedings{tdc2023, title={TDC 2023 (LLM Edition): The Trojan Detection Challenge}, author={Mantas Mazeika and Andy Zou and Norman Mu and Long Phan and Zifan Wang and Chunru Yu and Adam Khoja and Fengqing Jiang and Aidan O'Gara and Ellie Sakhaee and Zhen Xiang and Arezoo… See the full description on the dataset page: https://huggingface.co/datasets/walledai/TDC23-RedTeaming.textn<1K8 likes415 downloads2y agoHugging Face02scikit-fingerprints /TDC_pampa_ncats TDC PAMPA NCATS PAMPA NCATS dataset [1], part of TDC [2] benchmark. It is intended to be used through scikit-fingerprints library. NCATS subset of PAMPA dataset. PAMPA (parallel artificial membrane permeability assay) is an assay to evaluate drug permeability across the cellular membrane. The task models only the passive membrane diffusion. This is “NCATS” subset of the dataset created at National Center for Advancing Translational Sciences (NCATS). This dataset is a part of… See the full description on the dataset page: https://huggingface.co/datasets/scikit-fingerprints/TDC_pampa_ncats.texttabular-classification1K<n<10K0 likes273 downloads1y agoHugging Face03scikit-fingerprints /TDC_caco2_wang TDC Caco-2 Wang Caco-2 Wang dataset [1], part of TDC [2] benchmark. It is intended to be used through scikit-fingerprints library. The task is to predict the rate at which drug passes through Caco-2 cells that serve as in vitro simulation of human intestinal tissue. This dataset is a part of "absorption" subset of ADME tasks. Characteristic Description Tasks 1 Task type regression Total samples 910 Recommended splitscaffold Recommended metric MAE… See the full description on the dataset page: https://huggingface.co/datasets/scikit-fingerprints/TDC_caco2_wang.texttabular-classificationn<1K0 likes262 downloads1y agoHugging Face04scikit-fingerprints /TDC_solubility_aqsoldb TDC Solubility AqSolDB Solubility AqSolDB dataset dataset [1], part of TDC [2] benchmark. It is intended to be used through scikit-fingerprints library. he task is to predict the aqeuous solubility - a measure drug's ability to dissolve in water. Poor water solubility could lead to slow drug absorptions, inadequate bioavailablity and even induce toxicity. This dataset is a part of "absorption" subset of ADME tasks. Characteristic Description Tasks 1 Task type… See the full description on the dataset page: https://huggingface.co/datasets/scikit-fingerprints/TDC_solubility_aqsoldb.texttabular-classification1K<n<10K0 likes237 downloads1y agoHugging Face05scikit-fingerprints /TDC_cyp2d6_veith CYP P450 2D6 Inhibition, Veith et al. CYP P450 2D6 Inhibition dataset by Veith et al., part of TDC [2] benchmark. It is intended to be used through scikit-fingerprints library. The task is to predict the binding results for a set of inhibitors of CYP2D6 enzyme, part of cytochromes P450 family. Characteristic Description Tasks 1 Task type classification Total samples 1513 Recommended split scaffold Recommended metric AUROC References [1] Veith… See the full description on the dataset page: https://huggingface.co/datasets/scikit-fingerprints/TDC_cyp2d6_veith.texttabular-classification10K<n<100K0 likes229 downloads1y agoHugging Face06scikit-fingerprints /TDC_cyp1a2_veith CYP P450 1A2 Inhibition, Veith et al. CYP P450 1A2 Inhibition dataset by Veith et al., part of TDC [2] benchmark. It is intended to be used through scikit-fingerprints library. The task is to predict the binding results for a set of inhibitors of CYP1A2 enzyme, part of cytochromes P450 family. Characteristic Description Tasks 1 Task type classification Total samples 12579 Recommended split scaffold Recommended metric AUROC References [1] Veith… See the full description on the dataset page: https://huggingface.co/datasets/scikit-fingerprints/TDC_cyp1a2_veith.texttabular-classification10K<n<100K0 likes226 downloads1y agoHugging Face07scikit-fingerprints /TDC_pgp_broccatelli TDC P-gp Inhibition P-gp (P-glycoprotein) Inhibition dataset [1], part of TDC [2] benchmark. It is intended to be used through scikit-fingerprints library. The task is to predict whether a molecule inhibits the P-glycoprotein. P-glycoprotein (P-gp) is an ABC transporter protein involved in intestinal absorption, drug metabolism, and brain penetration, and its inhibition can seriously alter a drug's bioavailability and safety Characteristic Description Tasks 1 Task type… See the full description on the dataset page: https://huggingface.co/datasets/scikit-fingerprints/TDC_pgp_broccatelli.texttabular-classification1K<n<10K0 likes222 downloads1y agoHugging Face08scikit-fingerprints /TDC_bioavailability_ma TDC Bioavailability Bioavailability dataset [1], part of TDC [2] benchmark. It is intended to be used through scikit-fingerprints library. The task is to predict the oral bioavailability. It is defined as "the rate and extent to which the active ingredient or active moiety is absorbed from a drug product and becomes available at the site of action". This dataset is a part of "absorption" subset of ADME tasks. Characteristic Description Tasks 1 Task type classification… See the full description on the dataset page: https://huggingface.co/datasets/scikit-fingerprints/TDC_bioavailability_ma.texttabular-classificationn<1K0 likes219 downloads1y agoHugging Face09scikit-fingerprints /TDC_cyp2c19_veith CYP P450 2C19 Inhibition, Veith et al. CYP P450 2C19 Inhibition dataset by Veith et al., part of TDC [2] benchmark. It is intended to be used through scikit-fingerprints library. The task is to predict the binding results for a set of inhibitors of CYP2C19 enzyme, part of cytochromes P450 family. Characteristic Description Tasks 1 Task type classification Total samples 12665 Recommended split scaffold Recommended metric AUROC References [1] Veith… See the full description on the dataset page: https://huggingface.co/datasets/scikit-fingerprints/TDC_cyp2c19_veith.texttabular-classification10K<n<100K0 likes216 downloads1y agoHugging Face10scikit-fingerprints /TDC_cyp3a4_veith CYP P450 3A4 Inhibition, Veith et al. CYP P450 3A4 Inhibition dataset by Veith et al., part of TDC [2] benchmark. It is intended to be used through scikit-fingerprints library. The task is to predict the binding results for a set of inhibitors of CYP3A4 enzyme, part of cytochromes P450 family. Characteristic Description Tasks 1 Task type classification Total samples 12328 Recommended split scaffold Recommended metric AUROC References [1] Veith… See the full description on the dataset page: https://huggingface.co/datasets/scikit-fingerprints/TDC_cyp3a4_veith.texttabular-classification10K<n<100K0 likes216 downloads1y agoHugging Face11scikit-fingerprints /TDC_ames TDC AMES AMES dataset [1], part of TDC [2] benchmark. It is intended to be used through scikit-fingerprints library. The task is to predict mutagenicity of drugs, i.e. potential to induce genetic alterations. This data comes from a standardized Ames test, which is a short-term bacterial reverse mutation assay. Characteristic Description Tasks 1 Task type classification Total samples 7278 Recommended splitscaffold Recommended metric AUROC References… See the full description on the dataset page: https://huggingface.co/datasets/scikit-fingerprints/TDC_ames.texttabular-classification1K<n<10K0 likes216 downloads1y agoHugging Face12scikit-fingerprints /TDC_cyp2c9_veith CYP P450 2C9 Inhibition, Veith et al. CYP P450 2C9 Inhibition dataset by Veith et al., part of TDC [2] benchmark. It is intended to be used through scikit-fingerprints library. The task is to predict the binding results for a set of inhibitors of CYP2C9 enzyme, part of cytochromes P450 family. Characteristic Description Tasks 1 Task type classification Total samples 12092 Recommended split scaffold Recommended metric AUROC References [1] Veith… See the full description on the dataset page: https://huggingface.co/datasets/scikit-fingerprints/TDC_cyp2c9_veith.texttabular-classification10K<n<100K0 likes215 downloads1y agoHugging Face13scikit-fingerprints /TDC_vdss_lombardo TDC VDss Volume of Distribution at Steady State dataset [1], part of TDC [2] benchmark. It is intended to be used through scikit-fingerprints library. The task is to predict the volume of distribution at steady state (VDss) that measures the degree of drug's concentration in body tissue compared to concentration in blood [1]_ [2]_. This dataset is a part of "distribution" subset of ADME tasks. Characteristic Description Tasks 1 Task type classification Total… See the full description on the dataset page: https://huggingface.co/datasets/scikit-fingerprints/TDC_vdss_lombardo.texttabular-classification1K<n<10K0 likes214 downloads1y agoHugging Face14scikit-fingerprints /TDC_hia_hou TDC HIA HOU Human Intestinal Absorption dataset [1], part of TDC [2] benchmark. It is intended to be used through scikit-fingerprints library. The task is to predict whether a drug is well absorbed via the human intestine. It is relevant for oral drug design. This dataset is a part of "absorption" subset of ADME tasks. Characteristic Description Tasks 1 Task type classification Total samples 578 Recommended splitscaffold Recommended metric AUROC… See the full description on the dataset page: https://huggingface.co/datasets/scikit-fingerprints/TDC_hia_hou.texttabular-classificationn<1K0 likes212 downloads1y agoHugging Face15lhkhiem28 /TDC-DrugADMETtext10K<n<100K0 likes211 downloads4mo agoHugging Face16scikit-fingerprints /TDC_ld50_zhu TDC Acute Toxicity LD50 Acute Toxicity LD50 dataset dataset [1], part of TDC [2] benchmark. It is intended to be used through scikit-fingerprints library. Acute toxicity LD50 measures the most conservative dose that can lead to lethal adverse effects. The regression task is to predict the acute toxicity of drugs. Characteristic Description Tasks 1 Task type regression Total samples 7385 Recommended split scaffold Recommended metric MAE References… See the full description on the dataset page: https://huggingface.co/datasets/scikit-fingerprints/TDC_ld50_zhu.texttabular-classification1K<n<10K0 likes206 downloads1y agoHugging Face17scikit-fingerprints /TDC_herg_karim TDC Herg Karim Herg Karim dataset [1], part of TDC [2] benchmark. It is intended to be used through scikit-fingerprints library. The task is to predict whether the drug blocks ether-à-go-go related gene (hERG), crucial for coordination of the heart's beating. This dataset is a binary classification task, with molecules defined as hERG (<10 µM) and non-hERG (>=10 µM) blockers. Characteristic Description Tasks 1 Task type classification Total samples 13445… See the full description on the dataset page: https://huggingface.co/datasets/scikit-fingerprints/TDC_herg_karim.texttabular-classification10K<n<100K0 likes206 downloads1y agoHugging Face18scikit-fingerprints /TDC_carcinogens_lagunin TDC Carcinogens Lagunin Carcinogens Lagunin dataset dataset [1] [2], part of TDC [3] benchmark. It is intended to be used through scikit-fingerprints library. The task is to predict whether the drug is a carcinogen. Characteristic Description Tasks 1 Task type classification Total samples 280 Recommended split scaffold Recommended metricAUROC References [1] Lagunin, Alexey, et al. Computer-Aided Prediction of Rodent Carcinogenicity by PASS and… See the full description on the dataset page: https://huggingface.co/datasets/scikit-fingerprints/TDC_carcinogens_lagunin.texttabular-classificationn<1K0 likes205 downloads1y agoHugging Face19scikit-fingerprints /TDC_skin_reaction TDC Skin Reaction Skin Reaction dataset dataset [1], part of TDC [2] benchmark. It is intended to be used through scikit-fingerprints library. The task is to predict whether the drug can cause immune reaction that leads to skin sensitization. Characteristic Description Tasks 1 Task type classification Total samples 404 Recommended split scaffold Recommended metricAUROC References [1] Alves, Vinicius M., et al. "Predicting chemically-induced skin… See the full description on the dataset page: https://huggingface.co/datasets/scikit-fingerprints/TDC_skin_reaction.texttabular-classificationn<1K0 likes182 downloads1y agoHugging Face20Jmrludan /expanded_related-properties-full-tdctext1M<n<10M0 likes117 downloads1y agoHugging Face21Seungjun /Korean-Olympiad-TDCS-3K Korean Olympiad TDCS 3K A balanced Korean Olympiad mathematics reasoning dataset derived from ChuGyouk/AI-MO-NuminaMath-CoT-Ko. Splits train: 3,000 rows (30 from every cluster × difficulty cell) validation: 300 rows (3 from every cluster × difficulty cell) Construction Filtered source: olympiads Problem embeddings: Qwen/Qwen3-Embedding-4B, 1,024 dimensions Problem-type clusters: 20 spherical k-means clusters Difficulty proxy: per-cluster… See the full description on the dataset page: https://huggingface.co/datasets/Seungjun/Korean-Olympiad-TDCS-3K.texttext-generation1K<n<10K1 likes100 downloads29d agoHugging Face22jiosephlee /context-conditioned-record-transfer-v10.3-tdc-bbb-martins-contrastive-intern BBB V10.3-TDC dual-view contrastive data This release converts each frozen V10.3-TDC pair into two independent LM inputs. The reference view exposes the known outcome or measurement; the query view hides it. The original comparison question, choices, and completion are not included. Source: jiosephlee/context-conditioned-molecule-transfer-v10.3-tdc-bbb-martins-mixed-continuous-intern at 49021c7e4609e9eb902200cb5a60a0c534a294fe Train rows: 117,408 Direct/auxiliary ratio: 1:1… See the full description on the dataset page: https://huggingface.co/datasets/jiosephlee/context-conditioned-record-transfer-v10.3-tdc-bbb-martins-contrastive-intern.tabular100K<n<1M0 likes52 downloads5d agoHugging Face23Jmrludan /tdc_full_agumentedtext1M<n<10M0 likes51 downloads1y agoHugging Face24jiosephlee /Medex_TDC_16M_Factstext10M<n<100M0 likes51 downloads10mo agoHugging Face25jiosephlee /context-conditioned-molecule-transfer-v10.3-tdc-v2-original-carcinogens-mixed-canonical-intern Carcinogens context-conditioned molecule transfer V10.3.TDC.V2.ORIGINAL TDC v2 original train/validation/test molecules supply the direct panels. The training set includes an equal number of held-out-scaffold-disjoint Starling direct pairs. Query outcomes remain hidden from prompts. Train rows: 18,816 Validation rows: 2,106 Test rows: 4,224 tabular10K<n<100K0 likes48 downloads1d agoHugging Face26Jmrludan /relevant-properties-full-tdctext1M<n<10M0 likes47 downloads1y agoHugging Face27jiosephlee /Medex_TDC_5M_Factstext1M<n<10M0 likes46 downloads10mo agoHugging Face28jiosephlee /context-conditioned-molecule-transfer-v10.3-tdc-bbb-martins-mixed-continuous-intern BBB_Martins context-conditioned molecule transfer V10.3-TDC This release uses scaffold-disjoint TDC binary direct panels and appends a 1:1 sample of training-only assay-evidence transfer pairs. Query values remain hidden from prompts. Train rows: 117,408 Validation rows: 14,775 Test rows: 39,750 tabular100K<n<1M0 likes46 downloads6d agoHugging Face29jiosephlee /context-conditioned-molecule-transfer-v9.0.2-tdc-v2-skin-reaction-mixed-continuous-intern Skin_Reaction context-conditioned molecule transfer V9.0.2.TDC.V2 This release preserves its direct panels and appends training-only, post-aggregate continuous assay-evidence transfer pairs. Query values remain hidden from prompts. Train rows: 197,714 Validation rows: 3,000 Test rows: 6,150 tabular100K<n<1M0 likes46 downloads5d agoHugging Face30jiosephlee /context-conditioned-molecule-transfer-v9.0.2-tdc-skin-reaction-mixed-continuous-intern Skin_Reaction context-conditioned molecule transfer V9.0.2.TDC This release uses TDC binary direct panels and appends a 1:1 all-TDC-scaffold-disjoint sample of training-only assay-evidence transfer pairs. Query values remain hidden from prompts. Train rows: 27,072 Validation rows: 3,000 Test rows: 6,150 tabular10K<n<100K0 likes45 downloads6d agoHugging Face

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