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3dcs

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3dcs / data

7.98 GB

1 contributor

History: 2 commits

EscheWang's picture

Replace float32-quantized energies with original float64 rMD17 energies

08a31a6 verified 3 days ago

chirality
Add combined 3DCS dataset: configs chirality, rotation, traj_frames, traj_energies (byte-identical copies of the standalone repos) + dataset card 4 days ago
rotation
Add combined 3DCS dataset: configs chirality, rotation, traj_frames, traj_energies (byte-identical copies of the standalone repos) + dataset card 4 days ago
traj_energies
Replace float32-quantized energies with original float64 rMD17 energies 3 days ago
traj_frames
Add combined 3DCS dataset: configs chirality, rotation, traj_frames, traj_energies (byte-identical copies of the standalone repos) + dataset card 4 days ago