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1. Machine-Learning-Accelerated-Molecular-Dynamics-of-Lithium-Ion-Transport-in-Cubic-LLZO Machine-Learning-Accelerated-Molecular-Dynamics-of-Lithium-Ion-Transport-in-Cubic-LLZO Public

   Dataset for the paper.

   Python 1

2. Charge-models-for-CO2 Charge-models-for-CO2 Public

   Classical model development for CO2

   Python

3. CO2-bending-and-rattling CO2-bending-and-rattling Public

   Simulation data and results for paper

   DIGITAL Command Language

4. custom-queuer custom-queuer Public

   A lightweight serial job queue (queuerd + CLI) that runs one job at a time via systemd --user, with crash recovery, timeouts, and per-job logging.

   Python

5. LFP_cluster_expansion LFP_cluster_expansion Public

   OCV from cluster expansion trained on MLIP

   Python

6. ligpargen ligpargen Public

   Forked from Isra3l/ligpargen

   Python