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README.md
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## Available checkpoints
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- `hesspred_v1`: Used for the paper. Trained to predict Hessians. Can be used for energies, forces, learned and autograd Hessians.
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- `hesspred_v2`:
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- `ckpt/eqv2.ckpt`: HORM EquiformerV2 finetuned on the HORM Hessian dataset. Not trained to predict Hessians! Can be used for energies, forces, and autograd Hessian.
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## Available checkpoints
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- `hesspred_v1`: Used for the paper. Trained to predict Hessians. Can be used for energies, forces, learned and autograd Hessians.
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- `hesspred_v2`: Potentially better Hessian prediction, less tested. Trained with MAE.
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- `hesspred_v3`: Potentially better Hessian prediction, less tested. Trained for longer.
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- `ckpt/eqv2.ckpt`: HORM EquiformerV2 finetuned on the HORM Hessian dataset. Not trained to predict Hessians! Can be used for energies, forces, and autograd Hessian.
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