pychem数据库（适用于Python3.0）
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2020-09-18
08:53:45
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pychem.zip （93个子文件） 
pychem 
moe.py 7KB geary.py 7KB constitution.py 19KB AtomTypes.py 5KB topology.py 28KB bcut.py 7KB basak.py 14KB charge.py 20KB geometric.py 17KB asa.py 3KB html 
bcut.html 5KB topology.html 32KB moe.html 10KB estate.html 10KB moran.html 7KB fingerprint.html 13KB charge.html 20KB pychem.html 28KB connectivity.html 36KB geary.html 7KB morse.html 8KB kappa.html 9KB moreaubroto.html 7KB basak.html 12KB rdf.html 9KB constitution.html 24KB geometric.html 13KB molproperty.html 11KB whim.html 10KB cpsa.html 16KB moran.py 7KB vector3d.py 9KB pychem.py 22KB fingerprint.py 8KB rdf.py 12KB kappa.py 8KB pytest.py 14KB __pycache__ vector3d.cpython-37.pyc 11KB topology.cpython-37.pyc 29KB GeoOpt.cpython-37.pyc 5KB morse.cpython-37.pyc 12KB radius.cpython-37.pyc 538B __init__.cpython-37.pyc 172B getmol.cpython-37.pyc 5KB quanchem.cpython-37.pyc 6KB bcut.cpython-37.pyc 7KB estate.cpython-37.pyc 11KB rdf.cpython-37.pyc 11KB pychem.cpython-37.pyc 22KB constitution.cpython-37.pyc 19KB whim.cpython-37.pyc 15KB geary.cpython-37.pyc 6KB moreaubroto.cpython-37.pyc 6KB charge.cpython-37.pyc 19KB geometric.cpython-37.pyc 15KB connectivity.cpython-37.pyc 33KB asa.cpython-37.pyc 2KB fingerprint.cpython-37.pyc 8KB AtomProperty.cpython-37.pyc 6KB moe.cpython-37.pyc 7KB AtomTypes.cpython-37.pyc 4KB cpsa.cpython-37.pyc 17KB moran.cpython-37.pyc 6KB basak.cpython-37.pyc 13KB kappa.cpython-37.pyc 7KB pytest.cpython-37.pyc 9KB molproperty.cpython-37.pyc 7KB __init__.py 405B quanchem.py 6KB molproperty.py 7KB GeoOpt.py 6KB whim.py 20KB connectivity.py 31KB radius.py 431B moreaubroto.py 6KB data drug.sdf 31KB drug.smi 202B
drugbank.txt 40B ebi.txt 0B testmol.smi 1KB cas.txt 40B drug.mol 2KB kegg.txt 35B ncbi.txt 23B drug.inchi 566B manual 
UserGuide.pdf 924KB manual.pdf 475KB Descriptor list.pdf 288KB morse.py 13KB cpsa.py 17KB getmol.py 5KB AtomProperty.py 7KB estate.py 12KB资源评论
