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
Update README.md
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README.md
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@@ -20,6 +20,8 @@ Welcome to IBM's series of large foundation models for sustainable materials. Ou
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GitHub: [GitHub Link](https://github.com/IBM/materials/tree/main)
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# SMILES-based Transformer Encoder-Decoder (SMI-TED)
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```python
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with torch.no_grad():
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decoded_smiles = model.decode(encoded_embeddings)
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```
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GitHub: [GitHub Link](https://github.com/IBM/materials/tree/main)
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Paper: [arXiv:2407.20267](https://arxiv.org/abs/2407.20267)
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# SMILES-based Transformer Encoder-Decoder (SMI-TED)
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```python
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with torch.no_grad():
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decoded_smiles = model.decode(encoded_embeddings)
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```
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## Citations
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```
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@misc{soares2024largeencoderdecoderfamilyfoundation,
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title={A Large Encoder-Decoder Family of Foundation Models For Chemical Language},
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author={Eduardo Soares and Victor Shirasuna and Emilio Vital Brazil and Renato Cerqueira and Dmitry Zubarev and Kristin Schmidt},
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year={2024},
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eprint={2407.20267},
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archivePrefix={arXiv},
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primaryClass={cs.LG},
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url={https://arxiv.org/abs/2407.20267},
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}
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```
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