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#!/bin/bash
HOME_LOC=/path/to/your/home/EntangledSBM
ENV_LOC=/path/to/your/envs/entangled-tps
SCRIPT_LOC=$HOME_LOC/entangled-tps
LOG_LOC=$HOME_LOC/entangled-tps/logs
DATE=$(date +%m_%d)
SPECIAL_PREFIX='entangled-trpcage-ce'
# set 3 have skip connection
PYTHON_EXECUTABLE=$ENV_LOC/bin/python
# ===================================================================
source "$(conda info --base)/etc/profile.d/conda.sh"
conda activate $ENV_LOC
$PYTHON_EXECUTABLE $SCRIPT_LOC/train.py \
--wandb \
--run_name "trpcage-ce" \
--device "cuda:0" \
--date "$DATE-trpcage-ce" \
--molecule trpcage \
--start_state unfolded \
--end_state folded \
--num_steps 5000 \
--sigma 0.5 \
--num_rollouts 200 \
--batch_size 1 \
--buffer_size 100 \
--end_temperature 400 \
--temperature 400 \
--use_delta_to_target \
--objective "ce" \
--self_normalize \
--num_samples 64 \
--importance_sample \
--sigma_max 1.0 \
--sigma_min 0.5 \
--timestep 1 \
--vel_conditioned >> "${LOG_LOC}/${DATE}_${SPECIAL_PREFIX}.log" 2>&1
conda deactivate |