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Daniel Zuegner
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Jan 22, 2025
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@@ -226,12 +226,12 @@ You can also fine-tune MatterGen on multiple properties. For instance, to fine-t | |
export PROPERTY1=dft_mag_density | ||
export PROPERTY2=dft_band_gap | ||
export MODEL_PATH=checkpoints/mattergen_base | ||
python scripts/finetune.py adapter.model_path=$MODEL_PATH data_module=mp_20 +lightning_module/diffusion_module/model/[email protected]_embeddings_adapt.$PROPERTY1=$PROPERTY1 +lightning_module/diffusion_module/model/[email protected]_embeddings_adapt.$PROPERTY2=$PROPERTY2 ~trainer.logger data_module.properties=["$PROPERTY1", "$PROPERTY2"] | ||
python scripts/finetune.py adapter.model_path=$MODEL_PATH data_module=mp_20 +lightning_module/diffusion_module/model/[email protected]_embeddings_adapt.$PROPERTY1=$PROPERTY1 +lightning_module/diffusion_module/model/[email protected]_embeddings_adapt.$PROPERTY2=$PROPERTY2 ~trainer.logger data_module.properties=["$PROPERTY1","$PROPERTY2"] | ||
``` | ||
> [!TIP] | ||
> Add more properties analogously by adding these overrides: | ||
> 1. `+lightning_module/diffusion_module/model/[email protected]_embeddings_adapt.<my_property>=<my_property>` | ||
> 2. Add `<my_property>` to the `data_module.properties=["$PROPERTY1", "$PROPERTY2", ..., <my_property>]` override. | ||
> 2. Add `<my_property>` to the `data_module.properties=["$PROPERTY1","$PROPERTY2",...,<my_property>]` override. | ||
> [!NOTE] | ||
> For Apple Silicon training, add `~trainer.strategy trainer.accelerator=mps` to the above command. | ||
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