From e5607e036f23bf1b54f249d2d081004979b859ed Mon Sep 17 00:00:00 2001 From: Ray Gao Date: Thu, 8 Aug 2024 00:09:19 +0000 Subject: [PATCH] fix config --- configs/s2ef/all_md/equiformer_v2/finetune_oc22.yml | 10 +++++----- 1 file changed, 5 insertions(+), 5 deletions(-) diff --git a/configs/s2ef/all_md/equiformer_v2/finetune_oc22.yml b/configs/s2ef/all_md/equiformer_v2/finetune_oc22.yml index e272057e0..36fa0dd85 100644 --- a/configs/s2ef/all_md/equiformer_v2/finetune_oc22.yml +++ b/configs/s2ef/all_md/equiformer_v2/finetune_oc22.yml @@ -39,7 +39,7 @@ model: mode: RETAIN_BACKBONE_ONLY starting_checkpoint: "./checkpoints/2024-08-07-20-20-16-test/checkpoint.pt" heads: - oc22_forces: + forces: module: equiformer_v2_force_head @@ -63,10 +63,10 @@ optim: loss_force: l2mae outputs: - # energy: - # shape: 1 - # level: system - oc22_forces: + energy: + shape: 1 + level: system + forces: irrep_dim: 1 level: atom train_on_free_atoms: True