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Add Koopman reweighting in create_timelagged_datasets

Status: Open.

#236 In luigibonati/mlcolvar;

· Kai-Zhu-2001 opened on Feb 9, 2026

Fix xyz reading with multiple backends

v2New features to be integrated in release/2.0New features to be integrated in release/2.0

Status: Open.

#234 In luigibonati/mlcolvar;

· luigibonati opened on Feb 4, 2026

Restructure functions to create datasets

v2New features to be integrated in release/2.0New features to be integrated in release/2.0

Status: Open.

#233 In luigibonati/mlcolvar;

· luigibonati opened on Feb 4, 2026

Slicing a DictDataset

enhancementNew feature or requestNew feature or request

v2New features to be integrated in release/2.0New features to be integrated in release/2.0

Status: Open.

#230 In luigibonati/mlcolvar;

· luigibonati opened on Feb 3, 2026

ASE support (for graphs)

enhancementNew feature or requestNew feature or request

v2New features to be integrated in release/2.0New features to be integrated in release/2.0

Status: Open.

#223 In luigibonati/mlcolvar;

· luigibonati opened on Jan 22, 2026

Create command line tools for free energy analysis

enhancementNew feature or requestNew feature or request

v2New features to be integrated in release/2.0New features to be integrated in release/2.0

Status: Open.

#221 In luigibonati/mlcolvar;

· luigibonati opened on Jan 22, 2026

Notebook test coverage not reported to Codecov

Status: Open.

#216 In luigibonati/mlcolvar;

· EnricoTrizio opened on Jan 12, 2026

Make package available in conda

Status: Open.

#211 In luigibonati/mlcolvar;

· RubenChM opened on Dec 23, 2025

Add varying cell option to transform.descriptors module

enhancementNew feature or requestNew feature or request

Status: Open.

#209 In luigibonati/mlcolvar;

· EnricoTrizio opened on Dec 5, 2025

Distinguish training_step from evaluate_loss for better inheritance?

enhancementNew feature or requestNew feature or request

Status: Open.

#73 In luigibonati/mlcolvar;

· luigibonati opened on May 25, 2023

Issues in reduced rank algorithm for TICA

bugSomething isn't workingSomething isn't working

Status: Open.

#54 In luigibonati/mlcolvar;

· luigibonati opened on Apr 26, 2023