3dcs / README.md

Commit History

30 days ago

  1. Describe the chirality conformer generation in the dataset card

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    f224dc0
  2. Point the baselines links at main

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    e1e4e09
  3. Card: point to the baseline extraction scripts

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    c254c1c
  4. Update dataset card

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    722fa61

  1. Update dataset card: changelog for float64 energy re-upload (2026-09-18)

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    f182eb1
  2. Add combined 3DCS dataset: configs chirality, rotation, traj_frames, traj_energies (byte-identical copies of the standalone repos) + dataset card

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    40c6cfa