nablaDFT
1# Global variables
2name: Equiformer_v2
3dataset_name: dataset_train_tiny
4max_steps: 1000000
5warmup_steps: 0
6job_type: train
7pretrained: null # name of pretrained split or 'null'
8ckpt_path: null # path to checkpoint for training resume or test run
9
10# Datamodule parameters
11root: ./datasets/nablaDFT/${.job_type}
12batch_size: 2
13num_workers: 4
14
15# Devices
16devices: [0]
17
18# Trainer parameters
19gradient_clip_algorithm: null
20gradient_clip_val: null
21
22# configs
23defaults:
24- _self_
25- datamodule: nablaDFT_pyg.yaml # dataset config
26- model: equiformer_v2_oc20.yaml # model config
27- callbacks: default.yaml # pl callbacks config
28- loggers: wandb.yaml # pl loggers config
29- trainer: train.yaml # trainer config
30
31# need this to set working dir as current dir
32hydra:
33output_subdir: null
34run:
35dir: .
36original_work_dir: ${hydra:runtime.cwd}
37
38seed: 23
39