[docs] add notebooks - Githubissues

luigibonati / mlcolvar

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

MIT License

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[docs] add notebooks #9

Closed luigibonati closed 1 year ago

luigibonati commented 2 years ago

Introduction

[x] Getting started
[x] Creating datasets
[x] Customize loss and optimizer

NN-based CVs

[x] Autoencoder
[x] Deep-LDA
[x] Deep-TDA
[x] Deep-TICA

Linear models

[x] LDA
[x] TICA

Customize

[x] Multitask
[x] Preprocessing
[x] Adding a new cv from scratch
[x] Adding a new CV by overload

EnricoTrizio commented 1 year ago

Completed in #62 and #77