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from_ase stores ASE custom arrays as molecule-scope properties, causing schema mismatches for variable atom counts

Status: Open.

#42 In LeMaterial/atompack;

· Ramlaoui opened on Jun 22, 2026

Support dataset-level metadata

enhancementNew feature or requestNew feature or request

Status: Open.

#41 In LeMaterial/atompack;

· Ramlaoui opened on Jun 19, 2026

Support grouped structure records

enhancementNew feature or requestNew feature or request

Status: Open.

#40 In LeMaterial/atompack;

· Ramlaoui opened on Jun 19, 2026

refactor: simplify python batch writer without regressing throughput

Status: Open.

#28 In LeMaterial/atompack;

· Ramlaoui opened on May 10, 2026

Simplify the different branching and write / read modes

Status: Open.

#27 In LeMaterial/atompack;

· Ramlaoui opened on May 10, 2026

docs: Remove or implement the atompack[hf] install extra

Status: Open.

#9 In LeMaterial/atompack;

· speckhard opened on Apr 24, 2026