A fast and accurate model to estimate DFT quality partial atomic charges of periodic materials
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Updated
Jul 28, 2025 - Python
A fast and accurate model to estimate DFT quality partial atomic charges of periodic materials
Atomic Charge Calculator III (ACC III) is an application for fast calculation of partial atomic charges.
𝛂Charges: A tool for the quick calculation of partial atomic charges for protein structures from AlphaFold DB
Analyze classical electric fields within chemical structures
PDBCharges is a web application providing partial atomic charges of protein structures from the Protein Data Bank.
Workflow to calculate partial atomic charges for structures in PDB database
Mol\* (/'mol-star/) plugin for viewing partial atomic charges.
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