Available Modules
This module provides functionalities to derive and obtain typed polarizabilities from QM reference data. |
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This module provides functionalities to train BCC-dPol parameters and generate AM1-BCC-dPol partial charges |
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A module to generate partial charges to use with typed polarizabilities. |
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This module is for parameterizing small molecules with typed polarizabilities, AM1-BCC-dPol partial charges, and bonded parameters from Open Force Field Sage Force Field or AMBER GAFF |
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This module provide functionalities to generate reference QM ESPs and query existing ESPs data |
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This module contains useful functions to use with Factor-Pol model |