| 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 |
|
|
