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amorehead committed Jan 28, 2025
1 parent 717c73b commit e1b0f68
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Showing 2 changed files with 8 additions and 4 deletions.
6 changes: 4 additions & 2 deletions notebooks/casp15_method_interaction_analysis_plotting.ipynb
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Expand Up @@ -77,12 +77,13 @@
" \"vina_p2rank\",\n",
" \"diffdock\",\n",
" \"dynamicbind\",\n",
" \"neuralplexer\",\n",
" \"rfaa\",\n",
" \"chai-lab_ss\",\n",
" \"chai-lab\",\n",
" \"alphafold3_ss\",\n",
" \"alphafold3\",\n",
" \"neuralplexer3_ss\",\n",
" \"neuralplexer3\",\n",
"]\n",
"max_num_repeats_per_method = (\n",
" 1 # NOTE: Here, to simplify the analysis, we only consider the first run of each method\n",
Expand All @@ -103,12 +104,13 @@
" \"vina_p2rank\": \"P2Rank-Vina\",\n",
" \"diffdock\": \"DiffDock-L\",\n",
" \"dynamicbind\": \"DynamicBind\",\n",
" \"neuralplexer\": \"NeuralPLexer\",\n",
" \"rfaa\": \"RoseTTAFold-AA\",\n",
" \"chai-lab_ss\": \"Chai-1-Single-Seq\",\n",
" \"chai-lab\": \"Chai-1\",\n",
" \"alphafold3_ss\": \"AF3-Single-Seq\",\n",
" \"alphafold3\": \"AF3\",\n",
" \"neuralplexer3_ss\": \"NP3-Single-Seq\",\n",
" \"neuralplexer3\": \"NP3\",\n",
"}\n",
"\n",
"CASP15_ANALYSIS_TARGETS_TO_SKIP = [\n",
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6 changes: 4 additions & 2 deletions notebooks/casp15_method_interaction_analysis_plotting.py
Original file line number Diff line number Diff line change
Expand Up @@ -42,12 +42,13 @@
"vina_p2rank",
"diffdock",
"dynamicbind",
"neuralplexer",
"rfaa",
"chai-lab_ss",
"chai-lab",
"alphafold3_ss",
"alphafold3",
"neuralplexer3_ss",
"neuralplexer3",
]
max_num_repeats_per_method = (
1 # NOTE: Here, to simplify the analysis, we only consider the first run of each method
Expand All @@ -68,12 +69,13 @@
"vina_p2rank": "P2Rank-Vina",
"diffdock": "DiffDock-L",
"dynamicbind": "DynamicBind",
"neuralplexer": "NeuralPLexer",
"rfaa": "RoseTTAFold-AA",
"chai-lab_ss": "Chai-1-Single-Seq",
"chai-lab": "Chai-1",
"alphafold3_ss": "AF3-Single-Seq",
"alphafold3": "AF3",
"neuralplexer3_ss": "NP3-Single-Seq",
"neuralplexer3": "NP3",
}

CASP15_ANALYSIS_TARGETS_TO_SKIP = [
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