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Gabriel Schöpfer
Genetic Algorithms
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dftb_interface
91fd8f3f
·
small fix to make initial mutaion work
·
May 02, 2024
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main
default
9e4241c4
·
parameters for molecule alignment now in config file
·
Apr 30, 2024
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structure_clustering
9cd7c282
·
Adding the mean_fitness tool
·
Feb 29, 2024
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algin_structures
a8dbbd16
·
recalculation: sample structures within a cluster according to their NRE
·
Feb 28, 2024
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strip_hydrogen
47c19837
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update gitignore
·
Feb 01, 2024
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gaussian_recalculate
f0c2eeaa
·
improvements in OutputAllStructuresChemcraft.py
·
Jul 27, 2023
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Quantum_machine_learning
39e56923
·
clustering skript and some changes in ml.py
·
Jan 18, 2023
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