Text Generation
Transformers
PyTorch
bart
mass-spectrometry
GC-EI-MS
Transformer
molecular-structure-reconstruction
compound-identification
Instructions to use MS-ML/SpecTUS_pretrained_only with libraries, inference providers, notebooks, and local apps. Follow these links to get started.
- Libraries
- Transformers
How to use MS-ML/SpecTUS_pretrained_only with Transformers:
# Use a pipeline as a high-level helper from transformers import pipeline pipe = pipeline("text-generation", model="MS-ML/SpecTUS_pretrained_only")# Load model directly from transformers import AutoTokenizer, AutoModelForSeq2SeqLM tokenizer = AutoTokenizer.from_pretrained("MS-ML/SpecTUS_pretrained_only") model = AutoModelForSeq2SeqLM.from_pretrained("MS-ML/SpecTUS_pretrained_only") - Notebooks
- Google Colab
- Kaggle
- Local Apps
- vLLM
How to use MS-ML/SpecTUS_pretrained_only with vLLM:
Install from pip and serve model
# Install vLLM from pip: pip install vllm # Start the vLLM server: vllm serve "MS-ML/SpecTUS_pretrained_only" # Call the server using curl (OpenAI-compatible API): curl -X POST "http://localhost:8000/v1/completions" \ -H "Content-Type: application/json" \ --data '{ "model": "MS-ML/SpecTUS_pretrained_only", "prompt": "Once upon a time,", "max_tokens": 512, "temperature": 0.5 }'Use Docker
docker model run hf.co/MS-ML/SpecTUS_pretrained_only
- SGLang
How to use MS-ML/SpecTUS_pretrained_only with SGLang:
Install from pip and serve model
# Install SGLang from pip: pip install sglang # Start the SGLang server: python3 -m sglang.launch_server \ --model-path "MS-ML/SpecTUS_pretrained_only" \ --host 0.0.0.0 \ --port 30000 # Call the server using curl (OpenAI-compatible API): curl -X POST "http://localhost:30000/v1/completions" \ -H "Content-Type: application/json" \ --data '{ "model": "MS-ML/SpecTUS_pretrained_only", "prompt": "Once upon a time,", "max_tokens": 512, "temperature": 0.5 }'Use Docker images
docker run --gpus all \ --shm-size 32g \ -p 30000:30000 \ -v ~/.cache/huggingface:/root/.cache/huggingface \ --env "HF_TOKEN=<secret>" \ --ipc=host \ lmsysorg/sglang:latest \ python3 -m sglang.launch_server \ --model-path "MS-ML/SpecTUS_pretrained_only" \ --host 0.0.0.0 \ --port 30000 # Call the server using curl (OpenAI-compatible API): curl -X POST "http://localhost:30000/v1/completions" \ -H "Content-Type: application/json" \ --data '{ "model": "MS-ML/SpecTUS_pretrained_only", "prompt": "Once upon a time,", "max_tokens": 512, "temperature": 0.5 }' - Docker Model Runner
How to use MS-ML/SpecTUS_pretrained_only with Docker Model Runner:
docker model run hf.co/MS-ML/SpecTUS_pretrained_only
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README.md
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@@ -34,11 +34,11 @@ for subsequent finetuning.
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We suggest to finetune the model further on experimental data (NIST, Wiley) to reach the performance reported in our [preprint]. Though we can not
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make the final model available, since it was finetuned on a proprietary dataset (NIST). If youhave purchased the NIST GC-EI-MS license, you can
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either fine-tune the model yourself using the code in [our GitHub repository] or contact us with a proof of the license and we will share the final
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model with you. The code we used for the data processing, finetuning, evaluation, model comparison and more can also be found in [our GitHub repository]
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Our [preprint]
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[NEIMS]: https://github.com/brain-research/deep-molecular-massspec
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[RASSP]: https://github.com/thejonaslab/rassp-public
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[our GitHub repository]: https://github.com/hejjack/SpecTUS/
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[preprint]:
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We suggest to finetune the model further on experimental data (NIST, Wiley) to reach the performance reported in our [preprint]. Though we can not
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make the final model available, since it was finetuned on a proprietary dataset (NIST). If youhave purchased the NIST GC-EI-MS license, you can
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either fine-tune the model yourself using the code in [our GitHub repository] or contact us with a proof of the license and we will share the final
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model with you. The code we used for the data processing, finetuning, evaluation, model comparison and more can also be found in [our GitHub repository].
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Our [preprint] provides more information about the task background, the final finetuned model, and the experiments.
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[NEIMS]: https://github.com/brain-research/deep-molecular-massspec
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[RASSP]: https://github.com/thejonaslab/rassp-public
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[our GitHub repository]: https://github.com/hejjack/SpecTUS/
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[preprint]: https://arxiv.org/abs/2502.05114
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