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 posterior-aligned adapter for MassSpecGym
This repository contains the MassSpecGym posterior-aligned LoRA adapter released with MS-GPT: Rethinking MS/MS De Novo Structure Elucidation as Spectrum-Induced Posterior Querying of a Molecule-Language Model.
The adapter is applied to the conditional molecule-language model in
nielsr/MS-GPT-MLM. It was trained
for the MassSpecGym benchmark using the configuration included in
training_config.json.
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 posterior-aligned LoRA adapter may be released under Apache-2.0 in GitHub issue #1.
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