chemopt

chemopt copied to clipboard

Re-use this model for student project

5

I would be curious to re-use this code to try optimize simple Alcohol Mixtures synthesis. I might have 4 or 5 parameters to control alcohol synthesis reaction. could you advice...

testpilot0

masterdezign

younesidsouguou

Need clarifications regarding a couple of points in code

3

1. In 'lets_start.py' you are evaluating a model after every 'evaluation_period' number of epochs. But you are also running the operation 'step' during evaluation (line 44 in lets_start.py) which will...

vishnuTV183

https://github.com/lightingghost/chemopt/blob/926440bd2c976a8e259bbb1d2f21399b93ebd210/gmm.py#L29 In the line: `modes = np.array([1 / np.prod(cov) for cov in self.cov]) ` it is recommended to use np.multiply.reduce() instead of np.prod(): `modes = np.array([1 / np.multiply.reduce(cov) for cov...

SaFE-APIOpt