Upload model config

input.yaml

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+add_head_to_pred: false
+allow_periodic: true
+atom_filter: -1
+batch_size: 142
+beta1: 0.9
+beta2: 0.999
+cell_repeat_iters: 2
+contrastive_loss_weight: 0.0
+create_contrastive_loss: false
+ctr_init_tau: 0.1
+dataset: AlexMP20
+dataset_arg: null
+dataset_root: tmp/alexmp20
+denoising_only: true
+denoising_weight: 1.0
+derivative: null
+distributed_backend: ddp
+droppath_warmup: false
+early_stopping_patience: 150
+ema_alpha_dy: 1.0
+ema_alpha_y: 1.0
+energy_weight: 0.0
+final_droppath: 0.0
+force_weight: 1.0
+gpu_ids: null
+gradient_clipping: 1.0
+graph_cutoff: 5.0
+inference_batch_size: 142
+init_droppath: 0.15
+job_id: cet-amp20_b142n1_0
+load_epoch: -1
+load_model: null
+log_dir: experiments/cet-amp20_b142n1_0
+lr: 0.0005
+lr_cosine_length: 800000
+lr_factor: 0.8
+lr_min: 1.0e-07
+lr_patience: 15
+lr_schedule: cosine
+lr_warmup_steps: 10000
+max_bonds_rotated: 0
+max_epochs_per_run: 3000000
+max_neighbors: 32
+max_time_minutes: null
+model_config: configs/model_configs/scd.yaml
+model_momentum: 0.996
+momentum_update: false
+neighbor_method: brute
+ngpus: -1
+noise_in_loader: true
+noise_scale: 0.04
+num_epochs: 3000
+num_nodes: 1
+num_steps: 800000
+num_workers: 6
+p_cell_repeat: 0.5
+p_invert: 0.0
+precision: 32
+pretrained_model: null
+pretraining: true
+prior_model: null
+random_rotate: false
+redirect: false
+reset_embeddings: false
+reset_head: false
+reset_norms: null
+restart: true
+save_interval: 1
+seed: 1
+self_cond: true
+splits: null
+standardize: false
+test_interval: 1
+test_size: 100
+torsion_angle_std: 0.0
+train_size: null
+use_ema_model: false
+val_ema_model: false
+val_interval: 1
+val_size: 100
+wandb_notes: ''
+weight_decay: 0.05
+weight_decay_on_head: false