luigibonati / mlcolvar

A unified framework for machine learning collective variables for enhanced sampling simulations
MIT License
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Tprime evaluation and Solve TICA problem with not-symmetric Correlation Matrix #13

Closed nicolopedrani closed 2 years ago

nicolopedrani commented 2 years ago

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codecov-commenter commented 2 years ago

Codecov Report

Merging #13 (a636ae4) into main (6567fb0) will decrease coverage by 0.97%. The diff coverage is 56.00%.

luigibonati commented 2 years ago

@nicolopedrani why did you add a new function correlation_matrices?

nicolopedrani commented 2 years ago

@nicolopedrani why did you add a new function correlation_matrices?

I will remove that. It was a test, to check if it is different to evaluate the covariances using all data. Tomorrow I will remove that "new" implentation Don't work until late

luigibonati commented 2 years ago

ok, when you remove it i will merge this PR. for experimental features it is better to work on different branches

Il giorno mer 8 giu 2022 alle ore 23:36 nicolò @.***> ha scritto:

@nicolopedrani https://github.com/nicolopedrani why did you add a new function correlation_matrices?

I will remove that. It was a test, to check if it is different to evaluate the covariances using all data. Tomorrow I will remove that "new" implentation Don't work until late

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