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Multi-GPU Support for Version 0.7.0

enhancementNew feature or requestNew feature or request

Status: Open.

#503 In mir-group/nequip;

· xufliu opened on May 30, 2025

Advise use of <code>OMP_NUM_THREADS=1</code> in docs?

Status: Open.

#495 In mir-group/nequip;

· kavanase opened on May 1, 2025

🌟 [FEATURE] Training NequIP on Local Spectroscopic Properties (e.g., NMR parameters) for Specific Atoms Only

enhancementNew feature or requestNew feature or request

Status: Open.

#487 In mir-group/nequip;

· ozakary opened on Apr 9, 2025

🐛 [BUG] GMM model evaluation

bugSomething isn't workingSomething isn't working

Status: Open.

#457 In mir-group/nequip;

· nfragapane opened on Aug 9, 2024

🌟 [FEATURE] Custom properties

enhancementNew feature or requestNew feature or request

Status: Open.

#414 In mir-group/nequip;

· ThePauliPrinciple opened on Mar 22, 2024

🌟 [FEATURE] OpenMM

enhancementNew feature or requestNew feature or request

Status: Open.

#288 In mir-group/nequip;

· asedova opened on Dec 22, 2022