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Gabriel Schöpfer
Genetic Algorithms
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c74c8730
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submit_check_error_and_restart_periodically_sge
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Apr 18, 2024
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dftb_interface
1c31e1f5
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Changed .venv to conda dftb
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Apr 04, 2024
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structure_clustering
9cd7c282
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Adding the mean_fitness tool
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Feb 29, 2024
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algin_structures
a8dbbd16
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recalculation: sample structures within a cluster according to their NRE
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Feb 28, 2024
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strip_hydrogen
47c19837
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update gitignore
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Feb 01, 2024
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Quantum_machine_learning
39e56923
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clustering skript and some changes in ml.py
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Jan 18, 2023
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gaussian_recalculate
f0c2eeaa
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improvements in OutputAllStructuresChemcraft.py
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Jul 27, 2023
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