Describe the chirality conformer generation in the dataset card f224dc0 verified EscheWang commited on 8 days ago
Update dataset card: changelog for float64 energy re-upload (2026-09-18) f182eb1 verified EscheWang commited on 9 days ago
Replace float32-quantized energies with original float64 rMD17 energies 08a31a6 verified EscheWang commited on 9 days ago
Add combined 3DCS dataset: configs chirality, rotation, traj_frames, traj_energies (byte-identical copies of the standalone repos) + dataset card 40c6cfa verified EscheWang commited on 9 days ago