MS-GPT: Rethinking MS/MS De Novo Structure Elucidation as Spectrum-Induced Posterior Querying of a Molecule-Language Model
Paper • 2607.23607 • Published
MS-GPT conditional molecule-language model
This repository contains the 150.1M-parameter conditional molecule-language model checkpoint released with MS-GPT: Rethinking MS/MS De Novo Structure Elucidation as Spectrum-Induced Posterior Querying of a Molecule-Language Model.
The model is pretrained on a molecule-only corpus with oracle fingerprints and
formulas and is shared across the NPLIB1 and MassSpecGym experiments. The
released training configuration is included as mlm_pretraining.yaml.
Use this checkpoint with the implementation in the original MS-GPT repository.
Provenance and attribution
These files are mirrored from the authors' released MS-GPT asset bundle with their explicit authorization.
- Original repository: https://github.com/VIKI623/MS-GPT
- Author's Hugging Face profile: https://huggingface.co/viki623
- Paper: https://huggingface.co/papers/2607.23607
- arXiv: https://arxiv.org/abs/2607.23607
The authors confirmed that this MS-GPT checkpoint may be released under Apache-2.0 in GitHub issue #1.
Inference Providers NEW
This model isn't deployed by any Inference Provider. 🙋 Ask for provider support