Arslan Mazitov
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Updated README
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README.md
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## List of available models
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- PET MAD v1.
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- PET MAD v1.
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- PET MAD v1.0.1
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- PET MAD v1.0.0
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- PET MAD v0.4.1
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- PET MAD v0.3.2
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## Downloading the Model
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To download the model, you can use `wget` or `curl` to download the model checkpoint directly from the Hugging Face repository.
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```bash
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wget https://huggingface.co/lab-cosmo/pet-mad/resolve/
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```
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Alternatively, you can use the `metatrain` library, which will allow you to download and export the model to a TorchScript format, and save the extensions, if there are any, to the `extensions/` folder. To install `metatrain`, run the following command:
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Then, you can export the model using the following command:
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```bash
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mtt export https://huggingface.co/lab-cosmo/pet-mad/resolve/v1.
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```
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## Usage
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To see the examples of how to use the model, please refer to the PET
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## Changelog
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- v1.
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- v1.0 -
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- v0.4.1 - Technical pre-relase
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- v0.3.2 - Technical pre-relase
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## List of available models
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- PET MAD v1.1.0 (dev)
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- PET MAD v1.0.2 (paper)
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- PET MAD v1.0.1
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- PET MAD v1.0.0
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- PET MAD v0.4.1 (deprecated)
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- PET MAD v0.3.2 (deprecated)
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## Downloading the Model
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To download the model, you can use `wget` or `curl` to download the model checkpoint directly from the Hugging Face repository.
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```bash
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wget https://huggingface.co/lab-cosmo/pet-mad/resolve/v1.0.2/models/pet-mad-v1.0.2.ckpt
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```
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Alternatively, you can use the `metatrain` library, which will allow you to download and export the model to a TorchScript format, and save the extensions, if there are any, to the `extensions/` folder. To install `metatrain`, run the following command:
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Then, you can export the model using the following command:
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```bash
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mtt export https://huggingface.co/lab-cosmo/pet-mad/resolve/v1.0.2/models/pet-mad-v1.0.2.ckpt
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```
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## Usage
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To see the examples of how to use the model, please refer to the PET-MAD GitHub [repository](https://github.com/lab-cosmo/pet-mad).
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## Changelog
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- v1.1.0 - Dev. version of the PET-MAD with the non-conservative forces and stresses.
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This version has notably worse performance on molecular systems,
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and is not recommended for production use, as for now.
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- v1.0.2 - The stable release version of the PET-MAD, which is used in the paper.
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- v1.0.1 - Same model as v1.0.0 but with the new PET implementation in metatrain.
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- v1.0.0 - Initial release of the PET MAD model with the the old PET implementation.
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- v0.4.1 - Technical pre-relase
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- v0.3.2 - Technical pre-relase
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