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README.md

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+# 3DCS Datasets
+
+This repository hosts multiple 3DCS datasets under separate configs.
+
+## Configs
+
+- `chirality`: keys, enantiomers, and MolBlocks with 3D coordinates
+- `traj_frames`: per-frame MolBlocks for trajectory data
+- `traj_energies`: per-trajectory energy arrays
+- `rotation`: rotation conformers with MolBlocks and torsion angles
+
+## Usage
+
+```python
+from datasets import load_dataset
+
+chirality = load_dataset("EscheWang/3dcs", name="chirality")
+rotation = load_dataset("EscheWang/3dcs", name="rotation")
+```