ChemGPT (4.7M params) is a language-based transformer model for generative molecular modeling, which was pretrained on the PubChem10M dataset. Pre-trained ChemGPT models are also robust, self-supervised representation learners that generalize to previously unseen regions of chemical space and enable embedding-based nearest-neighbor search.
- EOS model ID:
eos3cf4 - Slug:
molfeat-chemgpt
- Input:
Compound - Input Shape:
Single - Task:
Representation - Output:
Descriptor - Output Type:
Float - Output Shape:
List - Interpretation: 128 features based on a chemical language model
- Publication
- Source Code
- Ersilia contributor: GemmaTuron
If you use this model, please cite the original authors of the model and the Ersilia Model Hub.
This package is licensed under a GPL-3.0 license. The model contained within this package is licensed under a Apache-2.0 license.
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