Feature Extraction
Transformers
PyTorch
Safetensors
Diffusers
SMI-TED
chemistry
foundation models
AI4Science
materials
molecules
transformer
Instructions to use ibm-research/materials.smi-ted with libraries, inference providers, notebooks, and local apps. Follow these links to get started.
- Libraries
- Transformers
How to use ibm-research/materials.smi-ted with Transformers:
# Use a pipeline as a high-level helper from transformers import pipeline pipe = pipeline("feature-extraction", model="ibm-research/materials.smi-ted")# pip install -U transformers accelerate # Load model directly from transformers import AutoModel model = AutoModel.from_pretrained("ibm-research/materials.smi-ted", device_map="auto") - Diffusers
How to use ibm-research/materials.smi-ted with Diffusers:
pip install -U diffusers transformers accelerate
import torch from diffusers import DiffusionPipeline # switch to "mps" for apple devices pipe = DiffusionPipeline.from_pretrained("ibm-research/materials.smi-ted", dtype=torch.bfloat16, device_map="cuda") prompt = "Astronaut in a jungle, cold color palette, muted colors, detailed, 8k" image = pipe(prompt).images[0] - Notebooks
- Google Colab
- Kaggle
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## Introduction
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We present a large encoder-decoder chemical foundation model, SMILES-based Transformer Encoder-Decoder (SMI-TED), pre-trained on a curated dataset of 91 million SMILES samples sourced from PubChem, equivalent to 4 billion molecular tokens. SMI-TED supports various complex tasks, including quantum property prediction, with two main variants (
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## Table of Contents
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## Introduction
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We present a large encoder-decoder chemical foundation model, SMILES-based Transformer Encoder-Decoder (SMI-TED), pre-trained on a curated dataset of 91 million SMILES samples sourced from PubChem, equivalent to 4 billion molecular tokens. SMI-TED supports various complex tasks, including quantum property prediction, with two main variants (289M and 8X289M). Our experiments across multiple benchmark datasets demonstrate state-of-the-art performance for various tasks. For more information contact: eduardo.soares@ibm.com or evital@br.ibm.com.
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## Table of Contents
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