TMAP of COCONUT database The script and data used in SIDERITE paper to generate TMAP picture (Figure S3 in supplementart material). Requirement: tmap You can install tmap by conda. conda create -n tmap python=3.7 conda activate tmap conda install -c tmap tmap pip install faerun pip install matplotlib conda install scipy conda install -c rdkit rdkit conda install -c conda-forge mhfp Usage: python plot_COCONUT.py Then it will use COCONUT.csv to generate index.html and index.js. Open index.html to see result. Other large input files Tanimoto_COCONUT_SIDERITE.xlsx is the input file in SIDERITE/predicted_new/Clustering_coconut.m at main · RuolinHe/SIDERITE. Sid_structure_output3.xlsx is used in SIDERITE/statistics/Figure1.m at main · RuolinHe/SIDERITE, SIDERITE/TAMP/tmap_code.m at main · RuolinHe/SIDERITE and SIDERITE/siderophore_process/Sid_process_code.m at main · RuolinHe/SIDERITE. COCONUT4MetFrag_Canonical.xlsx is the input file in SIDERITE/TAMP/tmap_code.m at main · RuolinHe/SIDERITE. COCONUT_r.txt is the output file in SIDERITE/TAMP/tmap_code.m at main · RuolinHe/SIDERITE. and the input file in SIDERITE/predicted_new/isSiderophore1.py at main · RuolinHe/SIDERITE. COCONUT4MetFrag.xlsx is the input file in SIDERITE/TAMP/CheckSMILES2.py at main · RuolinHe/SIDERITE.