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- license: mit
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+ ---
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+ license: mit
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+ pipeline_tag: graph-ml
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+ ---
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+
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+ # Shift Current Prediction (DPA3-based)
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+ This model is based on the DPA3 architecture for predicting shift current in materials.
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+ ## Dependency
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+ Install DeepMD:
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+ ```bash
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+ pip install deepmd-kit
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+ ```
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+
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+ ## Usage
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+
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+ ```bash
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+ dp --pt test \
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+ -m model.weights.pt \
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+ -f [INPUT_FILE] \
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+ -n 0 \
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+ -d [OUTPUT_FILE]
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+ ```
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+ `[INPUT_FILE]` is the input file (follow the format of deepmd) and `[OUTPUT_FILE]` is the output result.