Doc: update readme and task name

[anyangml]

No description provided.

[Copilot]

Pull Request Overview

This PR updates documentation and display names in the LAMBench project. The changes focus on improving clarity and consistency in task naming conventions and updating dataset references.

• Updates display names for three tasks in the metadata: "Phonon Properties" → "Phonon MDR", "Torsional Barrier" → "TorsionNet500", and "NEB" → "OC20NEB-OOD"
• Consolidates dataset references in README to point to a single comprehensive dataset location
• Removes redundant phonon dataset reference and streamlines documentation

Reviewed Changes

Copilot reviewed 2 out of 2 changed files in this pull request and generated 1 comment.

File	Description
lambench/metrics/results/metadata.json	Updates task display names to be more specific and descriptive
README.md	Consolidates dataset references and removes redundant links

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[Copilot]

[nitpick] The description should use "NEB-related" instead of "energy barrier related" to maintain consistency with the original "NEB related metrics" terminology used elsewhere in the codebase.

Suggested change

"DESCRIPTION": "Evaluation of energy barrier related metrics on the OC20NEB-OOD dataset. The dataset contains 460 NEB trajectories over 3 types of reactions: desorption, dissociation, and transfer. For details, please refer to https://arxiv.org/abs/2405.02078. The energy barrier height is calculated with single point energy prediction on DFT relaxed structures using the LAM model without performing NEB optimization.",

"DESCRIPTION": "Evaluation of NEB-related metrics on the OC20NEB-OOD dataset. The dataset contains 460 NEB trajectories over 3 types of reactions: desorption, dissociation, and transfer. For details, please refer to https://arxiv.org/abs/2405.02078. The energy barrier height is calculated with single point energy prediction on DFT relaxed structures using the LAM model without performing NEB optimization.",

[codecov]

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 65.89%. Comparing base (86d968f) to head (0d6c945).
⚠️ Report is 6 commits behind head on main.

Additional details and impacted files

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  Coverage   65.89%   65.89%           
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  Files          35       35           
  Lines        1589     1589           
  Branches      189      189           
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  Hits         1047     1047           
  Misses        500      500           
  Partials       42       42           

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