Commit History

Describe the chirality conformer generation in the dataset card
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Point the baselines links at main
e1e4e09
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Card: point to the baseline extraction scripts
c254c1c
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Update dataset card
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Update dataset card: changelog for float64 energy re-upload (2026-09-18)
f182eb1
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Replace float32-quantized energies with original float64 rMD17 energies
08a31a6
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Add combined 3DCS dataset: configs chirality, rotation, traj_frames, traj_energies (byte-identical copies of the standalone repos) + dataset card
40c6cfa
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initial commit
83dd652
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