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Commits on Oct 1, 2024

• Lightning Refactor: pytorch_lightning -> lightning.pytorch (#300)

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  melo-gonzo

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Commits on Sep 10, 2024

• refactor: adding step configuration to SAM example

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  laserkelvin

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Commits on Aug 8, 2024

• feat: added script that demonstrates loss schedule usage

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  laserkelvin

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Commits on Jul 23, 2024

• fix: adding new required kwarg to mace in examples and experiments

  melo-gonzo

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Commits on Jul 19, 2024

• feat: added example script for ema

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  laserkelvin

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Commits on Jul 1, 2024

• scripts: added scripts to demonstrate callback usage

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  laserkelvin

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Commits on May 28, 2024

• script: added pretrained example from multitask

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  laserkelvin

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Commits on May 15, 2024

• scripts: added example scripts for ase

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  laserkelvin

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Commits on May 13, 2024

• fix: using generic path for dataset example

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  laserkelvin

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• script: added run script for lightning CLI

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  laserkelvin

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• refactor: renaming cli interface to lightning cli

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  laserkelvin

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• config: adding example configurations for CLI

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  laserkelvin

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Commits on Apr 27, 2024

• Merge pull request #198 from laserkelvin/revised-xpu-conda

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  laserkelvin

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Commits on Apr 23, 2024

• fix: getting value instead of passing method

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  laserkelvin

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• refactor: adding manual dist init in script

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  laserkelvin

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• fix: making world size method call instead of property

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  laserkelvin

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• script: adding slurm script for mpi launching

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  laserkelvin

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• script: added mpi ddp script example

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Commits on Apr 22, 2024

• merge commit with FAENet updates

  laserkelvin

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• docs: added explanation for transform permutation in example

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Commits on Apr 19, 2024

• updating example with fast_dev_run and accurate comments, adding type hints to energy_and_force function

  melo-gonzo

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• adding updates to ForceRegressionTask to be compatible with taking energy gradients wrt fa_pos. updating example, updating a few lines in model definition

  melo-gonzo

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• script: added denoising example script

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  laserkelvin

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Commits on Apr 11, 2024

• script: added batch file for DDP on Slurm

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  laserkelvin

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• script: added example for XPU DDP on Slurm

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  laserkelvin

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Commits on Apr 9, 2024

• Update SAM.py

  Vaibhav525

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Commits on Apr 3, 2024

• Update SAM.py

  Vaibhav525

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• Sharpness Aware Minimization callback

  Vaibhav525

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Commits on Mar 15, 2024

• script: added example mace wrapper script

  laserkelvin

  committed
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• fix: correcting strategy string name in example script

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  laserkelvin

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• script: adding bf16 configuration to example

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  laserkelvin

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• fix: making sure accelerator and strategy are used properly

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  laserkelvin

  committed
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Commits on Mar 14, 2024

• script: adding example xpu script

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  laserkelvin

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Commits on Mar 13, 2024

• Merge pull request #132 from JonathanSchmidt1/alexandria_api

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  laserkelvin

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Commits on Mar 12, 2024

• Merge pull request #142 from melo-gonzo/nomad-devset-dataset-update

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  laserkelvin

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