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  license: apache-2.0
 
 
 
 
 
 
 
 
 
 
 
 
 
 
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  ---
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- # SMILES-based State-Space Encoder-Decoder (SMI-SSED)
 
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  This repository provides PyTorch source code associated with our publication, "A Mamba-Based Foundation Model for Chemistry".
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- **Paper:** [Arxiv Link]()
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- **HuggingFace:** [HuggingFace Link](https://huggingface.co/ibm/materials.smi-ted)
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  For more information contact: [email protected] or [email protected].
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- ![smi-ssed](https://github.com/IBM/materials/blob/main/models/smi_ssed/images/smi-ssed.png)
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  ## Introduction
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- We present a large encoder-decoder chemical foundation model, SMILES-based State-Space Encoder-Decoder (SMI-SSED), pre-trained on a curated dataset of 91 million SMILES samples sourced from PubChem, equivalent to 4 billion molecular tokens. SMI-SSED supports various complex tasks, including quantum property prediction, with two main variants ($336$ and $8 \times 336M$). Our experiments across multiple benchmark datasets demonstrate state-of-the-art performance for various tasks. Model weights are available at: [HuggingFace Link](https://huggingface.co/ibm/materials.smi-ted).
 
 
 
 
 
 
 
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  ## Table of Contents
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  ---
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  license: apache-2.0
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+ metrics:
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+ - accuracy
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+ pipeline_tag: feature-extraction
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+ tags:
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+ - chemistry
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+ - foundation models
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+ - AI4Science
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+ - materials
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+ - molecules
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+ - safetensors
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+ - pytorch
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+ - transformer
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+ - diffusers
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+ library_name: transformers
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  ---
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+
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+ # SMILES-based State-Space Encoder-Decoder (SMI-SSED) - MoLMamba
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  This repository provides PyTorch source code associated with our publication, "A Mamba-Based Foundation Model for Chemistry".
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+ **Paper:** [Arxiv Link](https://openreview.net/pdf?id=HTgCs0KSTl)
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+ **HuggingFace:** [HuggingFace Link](https://huggingface.co/ibm/materials.smi_ssed)
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  For more information contact: [email protected] or [email protected].
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+ ![smi-ssed](https://raw.githubusercontent.com/IBM/materials/main/models/smi_ssed/images/smi-ssed.png)
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  ## Introduction
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+ We present a Mamba-based encoder-decoder chemical foundation model, SMILES-based State-Space Encoder-Decoder (SMI-SSED), pre-trained on a curated dataset of 91 million SMILES samples sourced from PubChem, equivalent to 4 billion molecular tokens. SMI-SSED supports various complex tasks, including quantum property prediction, with two main variants ($336$ and $8 \times 336M$). Our experiments across multiple benchmark datasets demonstrate state-of-the-art performance for various tasks.
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+ We provide the model weights in two formats:
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+ - PyTorch (`.pt`): [smi_ssed_130.pt](smi_ssed_130.pt)
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+ - safetensors (`.bin`): [smi_ssed_130.bin](smi_ssed_130.bin)
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+
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+ For more information contact: [email protected] or [email protected].
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  ## Table of Contents
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