RDKit
Open-source cheminformatics and machine learning.
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#include <RDGeneral/export.h>
#include <RDGeneral/types.h>
#include <RDGeneral/Exceptions.h>
#include <string>
#include <map>
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Classes | |
class | RDKit::GasteigerParams |
Namespaces | |
namespace | RDKit |
Std stuff. | |
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 |