Halogens kinetics - new families and libraries#514
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mazeau
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I quickly glanced through this and I have no problems with it! Looks like a very positive addition
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regenerated F Abstraction groups and rules with autotst training data
removed imported reactions from literature mechanisms, and added training data from autotst calculations, then regenerated the tree and rules
removed estimated imported reactions from literature mechanisms, and added training data from autotst calculations, then regenerated the tree and rules
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Cross validation of 2nd gen halogen abstraction trees |
sevyharris
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Oct 14, 2021
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This PR adds new halogens kinetics families with autogen trees. It also a bunch of new halogen kinetics libraries.