ChemEmbed

Positive-mode model and paired reference database for ChemEmbed.

Current release: 1.0.1.

Attribution: Faizan-Khan et al. (2026).

These files are primarily provided for the ChemEmbed Galaxy tool and its data_manager_chemembed_models data manager. They can also be imported into a history using Galaxy's Upload tool where Hugging Face integration is available.

Sources and documentation

Version	GitHub and documentation	Original source
1.0.1	GitHub and documentation	Original source

Licensing

Version	Model/data license	Software license	Notes
1.0.1	MIT (default) chemembed_reference_mol2vec_300d_520k.parquet: CC-BY-4.0	MIT	The model licence is based on the upstream project licence. The model's relationship to the CC-BY-4.0 deposit remains unconfirmed.

Versions and files

Files are mirrored unchanged from upstream.

Version	Recorded software compatibility	File	SHA-256
1.0.1 (current)	Not specified	1.0.1/LICENSE	1e566110b5666ee96716964a58dda73b30808aa1125ac24ae07a0cde14f7c0b2
1.0.1 (current)	Not specified	1.0.1/chemembed_reference_mol2vec_300d_520k.parquet	41a88ef1c84e3f0bec2babfb6cac8941ae4fc37168622a94676a3e9c6c753df0
1.0.1 (current)	Not specified	1.0.1/model_positive.bin	b376f329f1b3759e598c9e1fd2e6b252d9f63ed2316baaff3b57be387b0b8c73