| 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 | |