├── CN_README.md ├── LICENSE ├── README.md ├── insert_data.py ├── pic ├── draw1.png ├── draw2.png ├── draw3.png ├── load.png └── molsearch.png ├── script ├── README.md ├── insert_data.py ├── test_1w.smi └── thread_gen_smiles_fp.py ├── webclient ├── .editorconfig ├── .env ├── .htaccess ├── CHANGELOG.md ├── Dockerfile ├── Gruntfile.js ├── LEGAL.md ├── LICENSE.md ├── README.md ├── bower.json ├── build.sh ├── default ├── docs │ ├── img │ │ ├── SearchBar.jpg │ │ ├── SketcherLeftToolbar.jpg │ │ ├── SketcherRightToolbar.jpg │ │ └── SketcherTopToolbar.jpg │ ├── manual.odt │ └── manual.pdf ├── embed.php ├── env-config.js ├── env.sh ├── index.php ├── licenses │ ├── agpl.txt │ ├── apache-license-2.0.txt │ ├── gpl-2.0.txt │ ├── gpl.txt │ ├── lgpl.txt │ └── mit.txt ├── minerals.sh ├── package.json ├── page.php ├── pages │ ├── 400.md │ ├── 401.md │ ├── 403.md │ ├── 404.md │ ├── 500.md │ ├── htmlcanvas.md │ ├── iesupport.md │ └── tracking.md ├── php │ ├── Mobile_Detect.php │ ├── Parsedown.php │ ├── cif.php │ ├── cod.php │ ├── gplus.php │ ├── image.php │ ├── load.php │ ├── nist.php │ └── utility.php ├── robots.txt └── src │ ├── datasets │ ├── JmolColors.js │ ├── MineralNames.js │ └── PDBNames.js │ ├── js │ ├── Actions.js │ ├── Autocomplete.js │ ├── CDWPlugin.js │ ├── Data.js │ ├── GLmolPlugin.js │ ├── History.js │ ├── InfoCard.js │ ├── JSmolPlugin.js │ ├── Link.js │ ├── Loader.Embed.js │ ├── Loader.js │ ├── Messages.js │ ├── Model.js │ ├── MolView.Embed.js │ ├── MolView.js │ ├── Preferences.js │ ├── Progress.js │ ├── Request.js │ ├── SearchGrid.js │ ├── Share.js │ ├── Sketcher.js │ ├── Spectroscopy.js │ ├── Utility.js │ ├── chem │ │ ├── chem │ │ │ ├── cis_trans.js │ │ │ ├── dfs.js │ │ │ ├── element.js │ │ │ ├── molfile.js │ │ │ ├── sgroup.js │ │ │ ├── smiles.js │ │ │ ├── stereocenters.js │ │ │ ├── struct.js │ │ │ └── struct_valence.js │ │ ├── prototype.js │ │ └── util │ │ │ ├── common.js │ │ │ ├── map.js │ │ │ ├── pool.js │ │ │ ├── set.js │ │ │ └── vec2.js │ ├── lib │ │ ├── ChemDoodleWeb.js │ │ ├── Detector.js │ │ ├── GLmol.js │ │ ├── JSmol.min.js │ │ ├── PeriodicTable.js │ │ ├── Polyfill.js │ │ └── three.min.js │ └── molpad │ │ ├── Data.js │ │ ├── MPAtom.js │ │ ├── MPAtom_calc.js │ │ ├── MPAtom_handler.js │ │ ├── MPBond.js │ │ ├── MPBond_calc.js │ │ ├── MPBond_handler.js │ │ ├── MPEvents.js │ │ ├── MPFragments.js │ │ ├── MPGraphics.js │ │ ├── MPLine.js │ │ ├── MPMolecule.js │ │ ├── MPPoint.js │ │ ├── MPSelection.js │ │ ├── MPSettings.js │ │ ├── MolPad.js │ │ └── Utility.js │ ├── less │ ├── active.less │ ├── autocomplete.less │ ├── chemicaldata.less │ ├── dialogs.less │ ├── embed.less │ ├── form.less │ ├── global.less │ ├── help.less │ ├── hover.less │ ├── layout.less │ ├── menu-desktop.less │ ├── menu-theme.less │ ├── menu-touch.less │ ├── menu.less │ ├── messages.less │ ├── model.less │ ├── page.less │ ├── periodictable.less │ ├── search.less │ ├── share.less │ ├── sketcher.less │ ├── smooth.less │ ├── vars.less │ └── welcome.less │ └── svg │ ├── action │ ├── center.svg │ ├── chain.svg │ ├── clean.svg │ ├── clear.svg │ ├── color.svg │ ├── erase.svg │ ├── hstrip.svg │ ├── lasso.svg │ ├── move.svg │ ├── rect.svg │ ├── redo.svg │ ├── rotate.svg │ ├── skeletal-off.svg │ └── undo.svg │ ├── bond │ ├── double.svg │ ├── hash.svg │ ├── single.svg │ ├── triple.svg │ └── wedge.svg │ ├── frag │ ├── benzene.svg │ ├── cyclobutane.svg │ ├── cycloheptane.svg │ ├── cyclohexane.svg │ ├── cyclopentane.svg │ └── cyclopropane.svg │ ├── icon │ ├── 128.svg │ ├── 16.png │ ├── 48.svg │ ├── MolSearch-logo.svg │ ├── MolSearch.svg │ ├── agpl.svg │ ├── arrow-right.svg │ ├── brand.svg │ ├── loading.svg │ ├── mark.svg │ ├── square-precomposed.svg │ └── square.svg │ ├── layout │ ├── hsplit.svg │ ├── model.svg │ ├── sketcher.svg │ └── vsplit.svg │ └── misc │ └── spinner.svg └── webserver ├── Dockerfile ├── README.md ├── app.log ├── requirements.txt └── src ├── __init__.py ├── app.log ├── app.py ├── common ├── __init__.py ├── __pycache__ │ ├── __init__.cpython-36.pyc │ ├── config.cpython-36.pyc │ └── const.cpython-36.pyc ├── config.py └── const.py ├── encoder ├── __init__.py ├── __pycache__ │ ├── __init__.cpython-36.pyc │ ├── encode.cpython-36.pyc │ └── utils.cpython-36.pyc └── encode.py ├── indexer ├── __init__.py ├── __pycache__ │ ├── __init__.cpython-36.pyc │ └── index.cpython-36.pyc └── index.py ├── service ├── __init__.py ├── __pycache__ │ ├── __init__.cpython-36.pyc │ ├── count.cpython-36.pyc │ ├── delete.cpython-36.pyc │ ├── load.cpython-36.pyc │ ├── search.cpython-36.pyc │ ├── theardpool.cpython-36.pyc │ └── train.cpython-36.pyc ├── count.py └── search.py └── tmp └── cache.db /CN_README.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/zilliztech/MolSearch/HEAD/CN_README.md -------------------------------------------------------------------------------- /LICENSE: -------------------------------------------------------------------------------- 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