partial-atomic-charges

There are 7 repositories under partial-atomic-charges topic.

sb-ncbr/ChargeFW2
The core part of Atomic Charge Calculator II.
Language:C++24 3 1010
sb-ncbr/AtomicChargeCalculator2
Atomic Charge Calculator II (ACC II) is an application for fast calculation of partial atomic charges.
Language:TeX11 2 05
sb-ncbr/AlphaCharges
𝛂Charges: A tool for the quick calculation of partial atomic charges for protein structures from AlphaFoldDB
Language:Python8 1 02
matthew-hennefarth/CPET
Analyze classical electric fields within chemical structures
Language:C++6 2 01
sb-ncbr/neemp
EEM parameterization software
Language:C5 2 01
sb-ncbr/eem_parameters
EEM parameters
4 1 00
MergunFrimen/molstar-partial-charges
Mol\* (/'mol-star/) plugin for viewing partial atomic charges.
Language:TypeScript