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CDFTPY: A python package for performing classical density functional theory calculations for molecular liquids.
Marat Valiev
Gennady N. Chuev
Marina V. Fedotova
Published in:
Comput. Phys. Commun. (2022)
Keyphrases
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open source
programming language
neural network
theoretical basis
probability theory
case study
computational model
molecular level
databases
three dimensional
user interface
source code
mathematical models
open source software
belief functions
protein function prediction