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Downloading test data

Status: Open.

#530 In chemfiles/chemfiles;

· ValentinGuillaume opened on Mar 19, 2026

mmCIF synthetic residue bonds

A-formats

bug

Status: Open.

#529 In chemfiles/chemfiles;

· ValentinGuillaume opened on Feb 25, 2026

TPR reading performance issue

Status: Open.

#526 In chemfiles/chemfiles;

· marekkokot opened on Nov 25, 2025

Support binary CIF files

A-formats

Status: Open.

#523 In chemfiles/chemfiles;

· sguionni opened on Sep 23, 2025

ENH: Support .con files

A-formats

Status: Open.

#522 In chemfiles/chemfiles;

· HaoZeke opened on Jul 19, 2025

Support H5MD format

A-formats

Help wanted

Status: Open.

Feature

#518 In chemfiles/chemfiles;

· ezavod opened on May 21, 2025

Tracking issue for release 0.11.0

Status: Open.

#509 In chemfiles/chemfiles;

· Luthaf opened on Apr 11, 2025

Performance degradation with large (+200k particles) XTC trajectories

A-formats

Status: Open.

#507 In chemfiles/chemfiles;

· thibautflottat opened on Mar 20, 2025

Add mechanism to flush trajectories

Status: Open.

#499 In chemfiles/chemfiles;

· JordanPrograms opened on Jan 15, 2025

TPRParser: Topology incorrect atom types for united-atom simulations

bug

Status: Open.

#497 In chemfiles/chemfiles;

· kay-ro opened on Sep 13, 2024

Can not load QM9's xyz file

Status: Open.

#489 In chemfiles/chemfiles;

· Roy-Kid opened on Sep 27, 2023

[feature request] Feasibility of reading angle dihedral and improper

A-formats

A-internals

Status: Open.

#476 In chemfiles/chemfiles;

· Roy-Kid opened on May 4, 2023