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README.md
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---
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pretty_name: FORGE-269k (FORce and EnerGy nanoclusters)
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license: cc-by-4.0
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tags:
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- materials-science
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- nanoclusters
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- dft
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- vasp
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- ase
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task_categories:
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- other
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size_categories:
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- 100K<n<1M
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language:
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- en
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---
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# FORGE-269k — Unary and Binary Nanoclusters (DFT Energies & Forces, ASE DB)
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Repo: `smanna789/FORGE-269k`
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## Files
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- `clusters.db` — ASE database
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- `index.csv` — optional index (if present)
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- `logs/process.log`, `logs/bad_cases.csv` — optional diagnostics (if present)
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## Quickstart
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```python
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from huggingface_hub import hf_hub_download
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from ase.db import connect
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repo = "smanna789/FORGE-269k"
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db_path = hf_hub_download(repo, "clusters.db", repo_type="dataset")
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with connect(db_path) as db:
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print('rows:', db.count())
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r = db.get(id=1)
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print(r.formula, r.natoms, r.get("energy"))
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```
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