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🐛[BUG]: AtomicData.from_structure() should guard against missing pymatgen

bugSomething isn't workingSomething isn't working

Status: Open.

#47 In NVIDIA/nvalchemi-toolkit;

· atulcthakur opened on Apr 2, 2026

🐛[BUG]: Large Memory Use During Dynamics

bugSomething isn't workingSomething isn't working

needs-triageSomeone should triage the issueSomeone should triage the issue

Status: Open.

#41 In NVIDIA/nvalchemi-toolkit;

· WardLT opened on Apr 1, 2026

🐛[BUG]: Datapipe gaps and limitations

bugSomething isn't workingSomething isn't working

Status: Open.

#24 In NVIDIA/nvalchemi-toolkit;

· zubatyuk opened on Mar 24, 2026

🐛[BUG]: Attribute naming inconsistencies

bugSomething isn't workingSomething isn't working

Status: Open.

#23 In NVIDIA/nvalchemi-toolkit;

· zubatyuk opened on Mar 24, 2026

🐛[BUG]: Model wrapper gaps and limitations

bugSomething isn't workingSomething isn't working

Status: Open.

#22 In NVIDIA/nvalchemi-toolkit;

· zubatyuk opened on Mar 24, 2026

🐛[BUG]: Data layer gaps and limitations

bugSomething isn't workingSomething isn't working

Status: Open.

#21 In NVIDIA/nvalchemi-toolkit;

· zubatyuk opened on Mar 24, 2026