Open-weight model
chemembed
by Computational Metabolomics Research Group computational-metabolomics/chemembed
Muhammad Faizan Khan. ChemEmbed positive-mode model and paired reference database from release v1.0.1. The computational-metabolomics maintainers record MIT for the model based on the upstream project licence, not a confirmed checkpoint-specific grant.
Model Card
By Computational Metabolomics Research Group, published under mit, revision 5bd55b9e06ca.
Muhammad Faizan Khan. ChemEmbed positive-mode model and paired reference database from release v1.0.1. The computational-metabolomics maintainers record MIT for the model based on the upstream project licence, not a confirmed checkpoint-specific grant. Upstream CITATION.cff also describes a CC-BY-4.0 models/data deposit, but the exact released model's relationship to that deposit has not been established. The reference database is separately CC-BY-4.0; upstream documents its Parquet conversion from the cited Zenodo data. No conversion is performed by this mirror. Per-file licences below override this default; the model-card licence field does not relicense accompanying data. The software…
Read Computational Metabolomics Research Group's full model card
computational-metabolomics/chemembed — 1.0.1
Muhammad Faizan Khan. ChemEmbed positive-mode model and paired reference database from release v1.0.1. The computational-metabolomics maintainers record MIT for the model based on the upstream project licence, not a confirmed checkpoint-specific grant. Upstream CITATION.cff also describes a CC-BY-4.0 models/data deposit, but the exact released model's relationship to that deposit has not been established. The reference database is separately CC-BY-4.0; upstream documents its Parquet conversion from the cited Zenodo data. No conversion is performed by this mirror.
Default model/data license: MIT.
Per-file licences below override this default; the model-card licence field does not relicense accompanying data.
Tool/source-code license: MIT.
The software license is reported separately; it does not replace the model/data license.
Upstream software: source code and documentation.
Original source: https://github.com/faizanurv/ChemEmbed/releases/tag/v1.0.1
These are byte-identical upstream files. No model conversion was performed.
| File | SHA-256 |
|---|---|
| 1.0.1/LICENSE | 1e566110b5666ee96716964a58dda73b30808aa1125ac24ae07a0cde14f7c0b2 |
| 1.0.1/chemembed_reference_mol2vec_300d_520k.parquet | 41a88ef1c84e3f0bec2babfb6cac8941ae4fc37168622a94676a3e9c6c753df0 |
| 1.0.1/model_positive.bin | b376f329f1b3759e598c9e1fd2e6b252d9f63ed2316baaff3b57be387b0b8c73 |
chemembed_reference_mol2vec_300d_520k.parquet
Model/data license: CC-BY-4.0.
Model/data DOI: https://doi.org/10.5281/zenodo.14778518.
Identity and Version
- Repository
- computational-metabolomics/chemembed
- Publisher
- Computational Metabolomics Research Group
- Task
- Not stated by the source
- Modality
- Other
- Library
- Not stated by the source
- Parameters
- Not stated by the source
- Languages
- Not stated by the source
- Revision
- 5bd55b9e06ca67ce183cc173489c4b6803b7a407
- First published
- 2026-09-18
- Last updated
- 2026-09-18
Files and Weights
5 files, 1.7 GB in total. The weights are 1 file totalling 1.1 GB in bin.
Every file
| File | Type | Size | SHA-256 |
|---|---|---|---|
| 1.0.1/model_positive.bin | Weights | 1.1 GB | b376f329f1b3 |
| 1.0.1/LICENSE | Documentation | 1.1 KB | — |
| README.md | Documentation | 1.9 KB | — |
| 1.0.1/chemembed_reference_mol2vec_300d_520k.parquet | Other | 542.5 MB | 41a88ef1c84e |
| .gitattributes | Repository | 1.5 KB | — |
License and Download
- License
- mit
- Access
- Open weights, no gate
- Download size
- 1.1 GB
Released by Computational Metabolomics Research Group through its official repository on Hugging Face. Read the license.
Memory Requirements
| Precision | Weights in memory |
|---|---|
| As published | 1.1 GB |
Weights only, from the published parameter count; the key-value cache and runtime add to this.
Questions About chemembed
Can I use chemembed commercially?
Yes. chemembed is released under MIT License. The MIT License is a short permissive license. It permits commercial use, modification and redistribution, provided the copyright notice and permission notice are included.