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