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default_inference_args.yaml
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default_inference_args.yaml
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actual_steps: 19
ckpt: best_ema_inference_epoch_model.pt
confidence_ckpt: best_model_epoch75.pt
confidence_model_dir: ./workdir/v1.1/confidence_model
different_schedules: false
inf_sched_alpha: 1
inf_sched_beta: 1
inference_steps: 20
initial_noise_std_proportion: 1.4601642460337794
limit_failures: 5
model_dir: ./workdir/v1.1/score_model
no_final_step_noise: true
no_model: false
no_random: false
no_random_pocket: false
ode: false
old_filtering_model: true
old_score_model: false
resample_rdkit: false
samples_per_complex: 10
sigma_schedule: expbeta
temp_psi_rot: 0.9022615585677628
temp_psi_tor: 0.5946212391366862
temp_psi_tr: 0.727287304570729
temp_sampling_rot: 2.06391612594481
temp_sampling_tor: 7.044261621607846
temp_sampling_tr: 1.170050527854316
temp_sigma_data_rot: 0.7464326999906034
temp_sigma_data_tor: 0.6943254174849822
temp_sigma_data_tr: 0.9299802531572672
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