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liuganghuggingface/moldata-chemixhub

77 downloads in 30 days0 likesLast modified 30 Oct 2026View on Hugging Face

Permissive or share-alike

The declared licence (cc-by-4.0) is classified as permissive.

Declared licence: cc-by-4.0, from the tagEvidence: README.md at 312aa7a
Licence files: LICENSE, detected as mitEvidence: LICENSE at 312aa7a
Declared sources: None listed in the card metadata
Access gated on Hugging Face: No

Each cell links to what was checked: a file, a file list or a Hub record.

Tasks

tabular-regression

Citation text from the card

Cite the original study and data source:

- [CheMixHub: Datasets and Benchmarks for Chemical Mixture Property Prediction (NeurIPS 2025)](https://arxiv.org/abs/2506.12231)
- [Drug solubility in solvent mixtures](https://doi.org/10.1186/s13321-024-00911-3)
- [Original CheMixHub paper AppendixA1 licenses, Table1 experimental/simulation provenance](https://proceedings.neurips.cc/paper_files/paper/2025/file/2f803abdcad9de35b45d5a656dade45c-Paper-Datasets_and_Benchmarks_Track.pdf)
- [NIST ILThermo](https://ilthermo.boulder.nist.gov/)
- [ChemMix viscosity dataset provenance](https://github.com/chemcognition-lab/chemixhub/tree/main/datasets/logV)
- [CheMixHub medicine formulation source](https://github.com/chemcognition-lab/chemixhub/tree/main/datasets/medicine-formulations)
- [Motor octane number](https://doi.org/10.1038/s42004-022-00722-3)
- [NIST ThermoData Engine viscosity](https://doi.org/10.1016/j.cej.2023.142454)
- [Olfactory mixture similarity](https://arxiv.org/abs/2501.16271)
- [Data-driven prediction of ionic conductivity in polymer electrolytes](https://doi.org/10.1021/acscentsci.2c01123)

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dataset_licence({ "id": "liuganghuggingface/moldata-chemixhub" })
signal: "permissive"
stated_licence: "cc-by-4.0"
sources: 0