Upload metadata.json

metadata.json

@@ -0,0 +1,11 @@
+{
+"1mlc":{"pdb":"1mlc_bae", "pdb_path":"./data/complex_structure/1mlc_bae.pdb", "heavy_chain":"B", "light_chain":"A", "antigen_chains":["E"], "affinity_data":["./data/binding_affinity/1mlc_benchmarking_data.csv"], "receptor_chains":["E"], "ligand_chains":["B","A"], "chain_order":["B","A","E"], "epitope_chain":"E", "paratope_chain":"B"},
+"1n8z":{"pdb":"1n8z_bac", "pdb_path":"./data/complex_structure/1n8z_bac.pdb", "heavy_chain":"B", "light_chain":"A", "antigen_chains":["C"], "affinity_data":["./data/binding_affinity/1n8z_benchmarking_data.csv"], "receptor_chains":["C"], "ligand_chains":["B","A"], "chain_order":["B","A","C"], "epitope_chain":"C", "paratope_chain":"B"},
+"2fjg":{"pdb":"2fjg_hlv", "pdb_path":"./data/complex_structure/2fjg_hlv.pdb", "heavy_chain":"H", "light_chain":"L", "antigen_chains":["V"], "affinity_data":["./data/binding_affinity/2fjg_benchmarking_data.csv"], "receptor_chains":["V"], "ligand_chains":["H","L"], "chain_order":["H","L","V"], "epitope_chain":"V", "paratope_chain":"H"},
+"3gbn":{"pdb":"3gbn_hlab", "pdb_path":"./data/complex_structure/3gbn_hlab.pdb", "heavy_chain":"H", "light_chain":"L", "antigen_chains":["A","B"], "affinity_data":["./data/binding_affinity/3gbn_h1_benchmarking_data.csv","./data/binding_affinity/3gbn_h9_benchmarking_data.csv"], "receptor_chains":["A","B"], "ligand_chains":["H","L"], "chain_order":["H","L","A","B"], "epitope_chain":"B", "paratope_chain":"H"},
+"4fqi":{"pdb":"4fqi_hlab", "pdb_path":"./data/complex_structure/4fqi_hlab.pdb", "heavy_chain":"H", "light_chain":"L", "antigen_chains":["A","B"], "affinity_data":["./data/binding_affinity/4fqi_h1_benchmarking_data.csv","./data/binding_affinity/4fqi_h3_benchmarking_data.csv"], "receptor_chains":["A","B"], "ligand_chains":["H","L"], "chain_order":["H","L","A","B"], "epitope_chain":"B", "paratope_chain":"H"},
+"aayl49":{"pdb":"aayl49_bca", "pdb_path":"./data/complex_structure/AAYL49_bca.pdb", "heavy_chain":"B", "light_chain":"C", "antigen_chains":["A"], "affinity_data":["./data/binding_affinity/aayl49_benchmarking_data.csv"], "receptor_chains":["A"], "ligand_chains":["B","C"], "chain_order":["B","C","A"], "epitope_chain":"A", "paratope_chain":"B"},
+"aayl49_ML":{"pdb":"aayl49_bca", "pdb_path":"./data/complex_structure/AAYL49_bca.pdb", "heavy_chain":"B", "light_chain":"C", "antigen_chains":["A"], "affinity_data":["./data/binding_affinity/aayl49_ML_benchmarking_data.csv"], "receptor_chains":["A"], "ligand_chains":["B","C"], "chain_order":["B","C","A"], "epitope_chain":"A", "paratope_chain":"B"},
+"aayl51":{"pdb":"aayl51_bca", "pdb_path":"./data/complex_structure/AAYL51_bca.pdb", "heavy_chain":"B", "light_chain":"C", "antigen_chains":["A"], "affinity_data":["./data/binding_affinity/aayl51_benchmarking_data.csv"], "receptor_chains":["A"], "ligand_chains":["B","C"], "chain_order":["B","C","A"], "epitope_chain":"A", "paratope_chain":"B"},
+"1mhp":{"pdb":"1mhp_hla", "pdb_path":"./data/complex_structure/1mhp_hla.pdb", "heavy_chain":"H", "light_chain":"L", "antigen_chains":["A"], "affinity_data":["./data/binding_affinity/1mhp_benchmarking_data.csv"], "receptor_chains":["A"], "ligand_chains":["H","L"], "chain_order":["H","L","A"], "epitope_chain":"A", "paratope_chain":"H"}
+}