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#!/bin/bash |
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HOME_LOC=/path/to/your/home/EntangledSBM |
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ENV_LOC=/path/to/your/envs/entangled-tps |
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SCRIPT_LOC=$HOME_LOC/entangled-tps |
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LOG_LOC=$HOME_LOC/entangled-tps/logs |
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DATE=$(date +%m_%d) |
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SPECIAL_PREFIX='entangled-trpcage-ce' |
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PYTHON_EXECUTABLE=$ENV_LOC/bin/python |
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source "$(conda info --base)/etc/profile.d/conda.sh" |
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conda activate $ENV_LOC |
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$PYTHON_EXECUTABLE $SCRIPT_LOC/train.py \ |
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--wandb \ |
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--run_name "trpcage-ce" \ |
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--device "cuda:0" \ |
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--date "$DATE-trpcage-ce" \ |
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--molecule trpcage \ |
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--start_state unfolded \ |
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--end_state folded \ |
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--num_steps 5000 \ |
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--sigma 0.5 \ |
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--num_rollouts 200 \ |
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--batch_size 1 \ |
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--buffer_size 100 \ |
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--end_temperature 400 \ |
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--temperature 400 \ |
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--use_delta_to_target \ |
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--objective "ce" \ |
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--self_normalize \ |
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--num_samples 64 \ |
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--importance_sample \ |
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--sigma_max 1.0 \ |
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--sigma_min 0.5 \ |
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--timestep 1 \ |
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--vel_conditioned >> "${LOG_LOC}/${DATE}_${SPECIAL_PREFIX}.log" 2>&1 |
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conda deactivate |
