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mc: yaml changes

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This commit is contained in:
Raktim Mitra
2026-02-26 10:41:52 -08:00
parent ad3d95f351
commit 60b18c281b
3 changed files with 17 additions and 14 deletions
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13
models/rfd3/configs/experiment/rfd3na.yaml
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@@ -2,17 +2,18 @@
# Training configuration for RFD3
defaults:
- /debug/default
#- /debug/default
- override /model: rfd3_base
#- override /logger: wandb
- override /logger: wandb
- override /datasets: design_base_rfd3na
- _self_
name: rfd3na_scratch_clean_test
tags: [print-model]
#ckpt: null
#ckpt_path: /net/scratch/raktim/training/logs/train/rfd3na-fine-tune/2026-02-17_15-21_JOB_3608285/ckpt/epoch-0590.ckpt
#ckpt_path: /net/scratch/raktim/training/logs/train/rfd3na_scratch/2026-02-17_17-56_JOB_3620867/ckpt/epoch-0030.ckpt
ckpt_path: /net/scratch/raktim/training/logs/train/rfd3na_scratch_clean_test/2026-02-19_01-58_JOB_3986244/ckpt/epoch-0180.ckpt
model:
@@ -58,7 +59,7 @@ datasets:
max_atoms_in_crop: 2560 # ~10x crop size.
global_transform_args:
meta_conditioning_probabilities:
p_is_nucleic_ss_example: 1.0
p_is_nucleic_ss_example: 0.25
p_nucleic_ss_show_partial_feats: 0.7
p_canonical_bp_filter: 0.2
#calculate_NA_SS: 0.3
@@ -79,11 +80,11 @@ datasets:
train:
# These are the ratios used in the preprint but we set all pdb sampling by default since not everyone might download the distillation data.
pdb:
probability: 0.5
probability: 0.6
rna_monomer_distillation:
probability: 0.3
monomer_distillation:
probability: 0.2
probability: 0.1
val:
pseudoknot:

11
models/rfd3/configs/experiment/rfd3na_fine_tune.yaml
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@@ -8,9 +8,10 @@ defaults:
- override /datasets: design_base_rfd3na
- _self_
name: rfd3na-fine-tune
name: rfd3na-fine-tune-ss0.5
tags: [print-model]
ckpt_path: /projects/ml/aa_design/models/rfd3_latest_foundry.ckpt
#ckpt_path: /projects/ml/aa_design/models/rfd3_latest_foundry.ckpt
ckpt_path: /net/scratch/raktim/training/logs/train/rfd3na-fine-tune-ss0.5/2026-02-23_23-57_JOB_4717793/ckpt/epoch-0820.ckpt
model:
net:
@@ -55,7 +56,7 @@ datasets:
max_atoms_in_crop: 2560 # ~10x crop size.
global_transform_args:
meta_conditioning_probabilities:
p_is_nucleic_ss_example: 0.25
p_is_nucleic_ss_example: 0.5
p_nucleic_ss_show_partial_feats: 0.7
p_canonical_bp_filter: 0.2
#calculate_NA_SS: 0.3
@@ -76,11 +77,11 @@ datasets:
train:
# These are the ratios used in the preprint but we set all pdb sampling by default since not everyone might download the distillation data.
pdb:
probability: 0.5
probability: 0.6
rna_monomer_distillation:
probability: 0.3
monomer_distillation:
probability: 0.2
probability: 0.1
val:
pseudoknot:

7
models/rfd3/configs/experiment/rfd3na_no_distill.yaml
View File

@@ -10,7 +10,8 @@ defaults:
name: rfd3na_no_distill
tags: [print-model]
ckpt_path: /net/scratch/raktim/training/logs/train/rfd3na_no_distill/2026-02-17_15-21_JOB_3608348/ckpt/epoch-0020.ckpt
#ckpt_path: null
ckpt_path: /net/scratch/raktim/training/logs/train/rfd3na_no_distill/2026-02-19_02-16_JOB_3988845/ckpt/epoch-0170.ckpt
model:
net:
@@ -76,9 +77,9 @@ datasets:
train:
# These are the ratios used in the preprint but we set all pdb sampling by default since not everyone might download the distillation data.
pdb:
probability: 0.6
probability: 0.7
rna_monomer_distillation:
probability: 0.4
probability: 0.3
monomer_distillation:
probability: 0.0