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5e7b739ed3
* Add initial files * add files * Move projects.aa_design -> rfd3 * Make format * Delete test files * Add configs * Mc * Fixed tests * remove test files
42 lines
986 B
YAML
42 lines
986 B
YAML
# @package _global_
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# New base model configuration since last large refactor
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# includes
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defaults:
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- a14-base-train
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- override /datasets: dna_base
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- override /model: full
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- _self_
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name: rfd3-NA-full-ft-glycine-fixed
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ckpt_path: /projects/ml/aa_design/models/rfd3_latest.ckpt
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datasets:
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diffusion_batch_size_train: 16
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crop_size: 256
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max_atoms_in_crop: 2560 # 384 * 10
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global_transform_args:
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association_scheme: atom14-new
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sigma_perturb: 4.0 # 3.0
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sigma_perturb_com: 3.0
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# Down-weight monomer distillation
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trainer:
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prevalidate: False
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loss:
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verbose_diffusion_loss: null
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simple_diffusion_loss:
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_target_: rfd3.metrics.losses.SimpleDiffusionLoss
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sigma_data: ${model.net.diffusion_module.sigma_data}
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weight: 4.0
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lddt_weight: 0.25
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alpha_virtual_atom: 0.35
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lp_weight: 0.0
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unindexed_norm_p: 1.0
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alpha_unindexed_diffused: 1.0
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unindexed_t_alpha: 0.75
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normalize_virtual_atom_weight: False
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