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1 ACD/Spectrus Platform 开放资源 专家推荐
  A scalable platform to collect and unify chemical, structural, and analytical data and a foundation for producing intelligence-from-information;...
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2 autodock 开放资源 专家推荐
  AutoDock is a suite of automated docking tools. It is designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure.;...
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3 Bio-Rad 未开放资源 专家推荐
  Bio-Rad offers a completely FREE, fully functional software package for use in academia. With the KnowItAll Academic Edition, you can draw chemical structures, analyze spectra, cre...
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4 CADPAC (The Cambridge Analytic Derivatives Package) 开放资源 专家推荐
  s,p,d and f basis function s. Also, pseudopotentials for the transition elements. a limit of 1000 basis functions and 100 atoms. (though some correlated methods are limited;...
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5 Central Laser Facility (CLF) 开放资源 馆员登记
  The Central Laser Facility (CLF) at the STFC Rutherford Appleton Laboratory (RAL) (an institution for the Science and Technology Facilities Council, near Oxford, UK) is one of the ...
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6 ChemBioDraw 未开放资源 专家推荐
  化学领域领先的绘图软件;...
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7 CHEMCAD 6.5 开放资源 专家推荐
  CHEMCAD is an integrated suite of intuitive chemical process engineering software. It has the power and tremendous range of capabilities to meet an engineer's chemical process simu...
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8 ChemicalTagger 开放资源 专家推荐
  ChemicalTagger is an open-source tool that uses OSCAR4 and NLP techniques for tagging and parsing experimental sections in the chemistry literature.;...
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9 chemoffice 开放资源 专家推荐
  ...
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10 ChemSep 开放资源 专家推荐
  ChemSep is a column simulator for distillation, absorption, and extraction operations. It combines the classic equilibrium stage column model with a nonequilibrium (rate-based) col...
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