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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
61 lines
1.1 KiB
YAML
61 lines
1.1 KiB
YAML
# @package _global_
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# Ablation experiment base for RFD3
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#
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defaults:
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- rfd3-full
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- _self_
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name: rfd3-ablation-control
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tags:
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- rfd3
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- ablation
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# Fresh weights
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ckpt_path: null
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datasets:
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# Reset training conditions:
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global_transform_args:
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# Turn off reference conformer generation
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generate_conformers: False
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train_conditions:
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unconditional:
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frequency: 99999
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island:
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frequency: 0.0
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sequence_design:
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frequency: 0.0
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tipatom:
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frequency: 0.0
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meta_conditioning_probabilities:
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calculate_rasa: 0.0
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keep_protein_motif_rasa: 0.0
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calculate_hbonds: 0.0
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hbond_subsample: 0.0
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# fully indexed training
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unindex_leak_global_index: 0.0
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unindex_insert_random_break: 0.0
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unindex_remove_random_break: 0.0
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# Reset all validation sets except the unconditionals
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val:
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indexed: null
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unindexed: null
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sm_binder_hbonds: null
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mcsa_41_short_rigid: null
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unconditional:
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dataset:
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eval_every_n: 1
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# Large datasets
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unconditional_deep:
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dataset:
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eval_every_n: 8
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