datasets
Training and evaluation data, with the modality, task and licence stated up front. Listed live from the Hugging Face Hub.
Octant_CYP_inhibition_reactivity_blog_release
OpenADMET Octant CYP Inhibition & Reactivity
Data release from the OpenADMET consortium, generated by Octant Bio.
This dataset accompanies the blog post Building the OpenADMET Data Engine.
Source code, assay protocols, and raw TSV files are on GitHub.
Overview
Cytochrome P450 (CYP) enzymes drive the oxidative metabolism of most drugs and are a primary cause of drug-drug interactions (DDIs).
Despite their importance, public CYP datasets are sparse, noisy, and… See the full description on the dataset page: https://huggingface.co/datasets/openadmet/Octant_CYP_inhibition_reactivity_blog_release.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.sec-8k-market-reaction-dataset
Historical SEC 8-K Market-Reaction Dataset — by FlinchLab
Know what each kind of company news historically did to the stock —
before you build on top of it. 29,331 SEC 8-K filings from 660 US
companies, read and re-classified finer than the official item codes, with
each category's price reaction measured by a market-model event study:
direction, magnitude, overnight-vs-session split, pre-filing baselines —
and every published finding validated on two independent out-of-sample… See the full description on the dataset page: https://huggingface.co/datasets/Flinchlab/sec-8k-market-reaction-dataset.ReactiveGWM-Datasets
ReactiveGWM-Datasets: Strategy-Aligned Rollouts for Reactive Game World Models
📚 Datasets-Introduction
ReactiveGWM-Datasets is the strategy-aligned training corpus that powers
ReactiveGWM, a game world
model that decouples player control from NPC autonomy. To learn that
decoupling, the model needs supervision that pairs each gameplay clip with
both a per-frame action stream (what the player did) and a high-level
NPC description (what the NPC tried to do, and under… See the full description on the dataset page: https://huggingface.co/datasets/INV-WZQ/ReactiveGWM-Datasets.Chemical_Reactions_BH_HTE
Curated Buchwald–Hartwig HTE Reactions
This dataset contains approximately 27,500 Buchwald–Hartwig reactions, comprising:
approximately 11,300 reactions generated through a dedicated Johnson & Johnson high-throughput experimentation campaign; and
approximately 16,200 curated open-source Buchwald–Hartwig and Pd-catalyzed C–N coupling HTE reactions.
To support generalization across data sources, every chemical entity was curated using an internal Johnson & Johnson tool to… See the full description on the dataset page: https://huggingface.co/datasets/PauloNeves-HF/Chemical_Reactions_BH_HTE.ReactionGraph
Reaction Graph Data
Place the contents of this folder under the datasets folder.
Here is an example of the directory structure:
Reaction-Graph/
├── analysts
├── ......
├── dataloaders
├── datasets/
│ ├── hte/
│ │ ├── buchwald_hartwig
│ │ └── ......
│ ├── uspto_condition
│ ├── uspto_tpl
│ └── uspto_yield
├── encoders
└── ......
synthetic-chemical-reactor-5k-sample
RL-Ready Synthetic Chemical Batch Reactor Dataset
🚨 Download the full 50,000-row dataset featuring 269 complete reactor life-cycles here: https://aimindteam.gumroad.com/l/reactor-dataset 🚨
Overview
This dataset provides a mathematically consistent, high-fidelity simulation of an industrial liquid-phase exothermic batch reactor. It contains multivariate time-series operational logs designed specifically for training Reinforcement Learning (RL) agents, testing Predictive… See the full description on the dataset page: https://huggingface.co/datasets/AIMindTeams/synthetic-chemical-reactor-5k-sample.chemotion-reactionsAll reactions from https://www.chemotion-repository.net/welcome with a small subset of LLM-generated questions to find a mistake
reaction-feasibility-integrity-v01Reaction Feasibility Integrity v01
What this dataset is
This dataset evaluates whether a system can judge basic chemical plausibility.
You give the model:
Reactants and reagents
Solvent and temperature
A claimed product and yield
You ask it to decide:
FEASIBLE or INFEASIBLE
With a short rationale
This is a sanity test.
Before optimization.
Before scale.
Why this matters
Chemistry fails early when plausibility is not checked.
Teams waste time when a system:
treats impossible reactions as… See the full description on the dataset page: https://huggingface.co/datasets/ClarusC64/reaction-feasibility-integrity-v01.instruction-tuning_EMH-emotional-reactionsEMH-emotional-reactionsCH-borylation-functionalisation-reaction-datasetProtST-Reactionreactorganic_reactionsrhea_uniprot_reaction_small
license: apache-2.0
task_categories:
translation
tags:
biology
chemistry
AI
size_categories:
10K<n<100K
Africa_Pharmacovigilance_Adverse_Drug_Reactions
Africa Pharmacovigilance Adverse Drug Reactions Dataset
A curated, structured dataset of 71 detailed adverse drug reaction (ADR) reports across 26 African countries, addressing a critical gap in pharmacovigilance data representation for African populations in global drug safety research.
🌍 Why This Dataset Matters
Most pharmacovigilance datasets are dominated by Western populations, leaving a significant gap in understanding drug safety profiles for African patients —… See the full description on the dataset page: https://huggingface.co/datasets/Oduwo/Africa_Pharmacovigilance_Adverse_Drug_Reactions.reactjs-codemarket-agent-reaction-path-mapping-v0.1What this dataset tests
Whether a system can inferwhat market agent types must do nextgiven constraints and triggers.
This is forced behavior mapping.Not opinions.
Required outputs
agent type
current position state
forced action probability
reaction path
systemic impact score
Constraints
Do not predict single-asset price.Infer forced actions from positioning and trigger context.
Evaluation focus
High scores requireagent type namedposition state describednumeric forced action… See the full description on the dataset page: https://huggingface.co/datasets/ClarusC64/market-agent-reaction-path-mapping-v0.1.rhea_uniprot_reaction_largeeach reaction is designated with three difference enzymes
rhea_uniprot_reaction_large_superGrade_One_ReAct_Validateenzymatic_reaction_prediction
Enzymatic Reaction Prediction Dataset
This dataset is part of the Deep Principle Bench collection.
Files
enzymatic_reaction_prediction.csv: Main dataset file
Usage
import pandas as pd
from datasets import load_dataset
# Load the dataset
dataset = load_dataset("yhqu/enzymatic_reaction_prediction")
# Or load directly as pandas DataFrame
df = pd.read_csv("hf://datasets/yhqu/enzymatic_reaction_prediction/enzymatic_reaction_prediction.csv")
Citation… See the full description on the dataset page: https://huggingface.co/datasets/yhqu/enzymatic_reaction_prediction.react-val-3react-standardSamples in this benchmark were generated by RELAI using the following data source(s):
Data Source Name: React
Documentation Data Source Link: https://legacy.reactjs.org/docs/getting-started.html
Data Source License: https://github.com/facebook/react/blob/main/LICENSE
Data Source Authors: Meta
AI Benchmarks by Data Agents © 2025 RELAI.AI · Licensed under CC BY 4.0. Source: https://relai.ai
react-reasoningSamples in this benchmark were generated by RELAI using the following data source(s):
Data Source Name: React
Documentation Data Source Link: https://legacy.reactjs.org/docs/getting-started.html
Data Source License: https://github.com/facebook/react/blob/main/LICENSE
Data Source Authors: Meta
AI Benchmarks by Data Agents © 2025 RELAI.AI · Licensed under CC BY 4.0. Source: https://relai.ai
react-train-5Grade_One_ReActreact-tran-2Skincare-Reaction