luigibonati / mlcolvar

A unified framework for machine learning collective variables for enhanced sampling simulations

MIT License

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DeepTICA cvs #2

Closed luigibonati closed 2 years ago

luigibonati commented 2 years ago

Description

added functions for training deepTICA CVs and regtests

codecov-commenter commented 2 years ago

Codecov Report

Merging #2 (eaf576c) into main (c8f84ac) will increase coverage by 3.20%. The diff coverage is 82.57%.

lgtm-com[bot] commented 2 years ago

This pull request introduces 2 alerts when merging 01241092cf7f50b0063cf6d3ebdf9d67016bb23b into c8f84ac09b9180416af607c2d57db43222fed290 - view on LGTM.com

new alerts:

2 for Unused import