Update README.md

README.md

@@ -1,3 +1,49 @@
 ---
 license: mit
+datasets:
+- fedeotto/kronos-datasets
+tags:
+- chemistry
+- molecules
+- 3d-molecule-generation
+- autoregressive
+- diffusion
+- latent-diffusion
 ---
+
+# KRONOS — checkpoints
+
+Trained weights for KRONOS, a latent autoregressive diffusion model for 3D molecule generation,
+together with the Unified AutoEncoder (UAE) checkpoints its latent space is built on.
+
+## Contents
+```
+uae_qm9/{last.ckpt, latent_stats.pth}          # autoencoder + latent statistics (QM9)
+uae_geom/{last.ckpt, latent_stats.pth}         # autoencoder + latent statistics (GEOM-Drugs)
+kronos-{qm9,geom}-layers{8,10,12,16}-heads{8,10,12,16}-d{512,640,768,1024}/manual_last.ckpt
+```
+The `layers16-heads16-d1024` checkpoints (283 M parameters) are the main models reported in the
+paper; the three smaller ones are the scaling ablation.
+
+## Usage
+
+Download into the `checkpoints/` directory of the code repository — the checkpoints store
+`vae_path = checkpoints/uae_{qm9,geom}/last.ckpt` internally, so the layout must be preserved.
+
+
+```bash
+python -m kronos.scripts.test \
+    --model_path checkpoints/kronos-qm9-layers16-heads16-d1024 \
+    --ckpt_name manual_last.ckpt --num_samples 10000 --sampler ddim
+```
+
+## Citation
+
+```bibtex
+@article{ottomano2026autoregressive,
+  title={Autoregressive latent diffusion for 3D molecule generation},
+  author={Ottomano, Federico and Ren, Gaopeng and Li, Yingzhen and Jelfs, Kim E and Ganose, Alex M},
+  journal={arXiv preprint arXiv:2607.09277},
+  year={2026}
+}
+```