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RDKit
Open-source cheminformatics and machine learning.
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Go to the source code of this file.
Classes | |
class | RDKit::GasteigerParams |
Namespaces | |
RDKit | |
Includes a bunch of functionality for handling Atom and Bond queries. | |
Variables | |
std::string | RDKit::paramData |
std::string | RDKit::additionalParamData |
const double | RDKit::IONXH = 20.02 |
const double | RDKit::DAMP_SCALE = 0.5 |
const double | RDKit::DAMP = 0.5 |