remove rf3 config which tagegd along

This commit is contained in:
Raktim Mitra
2026-03-20 16:04:16 -07:00
parent fe817ccc7a
commit 001709433c

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@@ -1,56 +0,0 @@
# @package _global_
name: rf3-with-confidence
project: rf3
tags:
# list of tags to add to the run ( & on wandb to easily find & filter runs)
- full
defaults:
- override /datasets: pdb_only
- override /model: rf3_with_confidence
- override /trainer: rf3_with_confidence
ckpt_config:
_target_: foundry.utils.weights.CheckpointConfig
path: null
reset_optimizer: true
model:
lr_scheduler:
base_lr: 0.9e-3 # 1/2 of original learning rate (1.8e-3)
# load confidence features
# remove within_20_closest_chains from loaders
datasets:
run_confidence_head: true
train:
pdb:
sub_datasets:
pn_unit:
dataset:
dataset:
filters:
# filters common across all PDB datasets
- "deposition_date < '2024-01-01'"
- "resolution < 9.0"
- "num_polymer_pn_units <= 300"
- "cluster.notnull()"
- "pdb_id not in ${resolve_import:atomworks.constants,PDB_IDS_WITH_UNPHYSICAL_BONDS}"
# pn_unit specific filters
- "~(q_pn_unit_non_polymer_res_names.notnull() and q_pn_unit_non_polymer_res_names.str.contains('${resolve_import:atomworks.constants,AF3_EXCLUDED_LIGANDS_REGEX}', regex=True))"
interface:
dataset:
dataset:
filters:
# filters common across all PDB datasets
- "deposition_date < '2024-01-01'"
- "resolution < 9.0"
- "num_polymer_pn_units <= 300"
- "cluster.notnull()"
- "pdb_id not in ${resolve_import:atomworks.constants,PDB_IDS_WITH_UNPHYSICAL_BONDS}"
# interface specific filters
- "~(pn_unit_1_non_polymer_res_names.notnull() and pn_unit_1_non_polymer_res_names.str.contains('${resolve_import:atomworks.constants,AF3_EXCLUDED_LIGANDS_REGEX}', regex=True))"
- "~(pn_unit_2_non_polymer_res_names.notnull() and pn_unit_2_non_polymer_res_names.str.contains('${resolve_import:atomworks.constants,AF3_EXCLUDED_LIGANDS_REGEX}', regex=True))"
- "is_inter_molecule"