LICENSE
MANIFEST.in
README.md
requirements.txt
setup.py
docs/Makefile
docs/Overall.png
docs/code_example.png
docs/fmap_dynamicly.gif
docs/make.bat
docs/molmap.log.png
docs/net.png
docs/requirements.txt
molmap/__init__.py
molmap/_base.py
molmap/agg.py
molmap/cpd.py
molmap/map.py
molmap/pdb.py
molmap/seq.py
molmap/show.py
molmap.egg-info/PKG-INFO
molmap.egg-info/SOURCES.txt
molmap.egg-info/dependency_links.txt
molmap.egg-info/requires.txt
molmap.egg-info/top_level.txt
molmap/config/__init__.py
molmap/config/descriptor_scale.cfg.gzip
molmap/config/fingerprint_scale.cfg.gzip
molmap/dataset/FreeSolv.csv
molmap/dataset/__init__.py
molmap/dataset/bace.csv
molmap/dataset/clintox.csv
molmap/dataset/delaney-processed.csv
molmap/feature/__init__.py
molmap/feature/descriptor/__init__.py
molmap/feature/descriptor/autocorr.py
molmap/feature/descriptor/charge.py
molmap/feature/descriptor/connectivity.py
molmap/feature/descriptor/constitution.py
molmap/feature/descriptor/estate.py
molmap/feature/descriptor/fragment.py
molmap/feature/descriptor/infocontent.py
molmap/feature/descriptor/kappa.py
molmap/feature/descriptor/matrix.py
molmap/feature/descriptor/moe.py
molmap/feature/descriptor/path.py
molmap/feature/descriptor/property.py
molmap/feature/descriptor/topology.py
molmap/feature/fingerprint/__init__.py
molmap/feature/fingerprint/atompairs.py
molmap/feature/fingerprint/avalonfp.py
molmap/feature/fingerprint/estatefp.py
molmap/feature/fingerprint/maccskeys.py
molmap/feature/fingerprint/maccskeys.xlsx
molmap/feature/fingerprint/map4.py
molmap/feature/fingerprint/mhfp6.py
molmap/feature/fingerprint/mnimalfatures.fdef
molmap/feature/fingerprint/morganfp.py
molmap/feature/fingerprint/pharmErGfp.py
molmap/feature/fingerprint/pharmPointfp.py
molmap/feature/fingerprint/pubchemfp.py
molmap/feature/fingerprint/pubchemfp.xlsx
molmap/feature/fingerprint/rdkitfp.py
molmap/feature/fingerprint/smarts_maccskey.py
molmap/feature/fingerprint/smarts_pharmacophore.py
molmap/feature/fingerprint/smarts_pubchem.py
molmap/feature/fingerprint/torsions.py
molmap/feature/sequence/__init__.py
molmap/feature/sequence/aas/__init__.py
molmap/feature/sequence/aas/global_feature/_AAComposition.py
molmap/feature/sequence/aas/global_feature/_Autocorrelation.py
molmap/feature/sequence/aas/global_feature/_CTD.py
molmap/feature/sequence/aas/global_feature/_PseudoAAC.py
molmap/feature/sequence/aas/global_feature/_QuasiSequenceOrder.py
molmap/feature/sequence/aas/global_feature/__init__.py
molmap/feature/sequence/aas/local_feature/__init__.py
molmap/feature/sequence/aas/local_feature/aai/__init__.py
molmap/feature/sequence/aas/local_feature/aai/result_data/01_aaindex.csv
molmap/feature/sequence/aas/local_feature/aai/result_data/01_aaindex_meta.pkl
molmap/feature/sequence/aas/local_feature/aai/result_data/02_aametrix.csv
molmap/feature/sequence/aas/local_feature/aai/result_data/02_aametrix_meta.pkl
molmap/feature/sequence/aas/local_feature/aai/result_data/03_aametrix.csv
molmap/feature/sequence/aas/local_feature/aai/result_data/03_aametrix_meta.pkl
molmap/feature/sequence/aas/local_feature/aai/result_data/Tomii_aa_group_info.csv
molmap/feature/sequence/aas/local_feature/aai/result_data/all_data.csv
molmap/feature/sequence/aas/local_feature/aai/result_data/all_meta.csv
molmap/feature/sequence/nas/__init__.py
molmap/feature/sequence/nas/global_feature/__init__.py
molmap/feature/sequence/nas/global_feature/ac.py
molmap/feature/sequence/nas/global_feature/acutil.py
molmap/feature/sequence/nas/global_feature/nac.py
molmap/feature/sequence/nas/global_feature/nacutil.py
molmap/feature/sequence/nas/global_feature/psenac.py
molmap/feature/sequence/nas/global_feature/psenacutil.py
molmap/feature/sequence/nas/global_feature/test.py
molmap/feature/sequence/nas/global_feature/util.py
molmap/feature/sequence/nas/global_feature/data/mmc3.data
molmap/feature/sequence/nas/global_feature/data/mmc4.data
molmap/model/__init__.py
molmap/model/cbks.py
molmap/model/importance.py
molmap/model/loss.py
molmap/model/model.py
molmap/model/net.py
molmap/utils/__init__.py
molmap/utils/calculator.py
molmap/utils/distances.py
molmap/utils/logtools.py
molmap/utils/matrixopt.py
molmap/utils/multiproc.py
molmap/utils/summary.py
molmap/utils/vismap.py
molmap/utils/vismap2.py