Update model card: Add pipeline tag, paper link, and usage example (#1)

- Update model card: Add pipeline tag, paper link, and usage example (ff69926b56c217e3b096319153dccbc1f99e8dcd)


Co-authored-by: Niels Rogge <nielsr@users.noreply.huggingface.co>

README.md

@@ -1,5 +1,23 @@
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 license: apache-2.0
+pipeline_tag: graph-ml
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-Model weights for FuncBind and preprocessed datasets (train/test CrossDocked). See paper https://openreview.net/forum?id=JMq90N6lLe and code https://github.com/prescient-design/funcbind for more instructions on how to use them.
-See https://huggingface.co/datasets/Willete3/mcpp_dataset for the MCP dataset and preprocessed splits.
+
+# Unified all-atom molecule generation with neural fields
+
+This repository contains the model weights for **FuncBind**, a framework for target-conditioned 3D molecule generation using neural fields. As presented in the paper [Unified all-atom molecule generation with neural fields](https://huggingface.co/papers/2511.15906), this unified model leverages score-based generative models and neural fields to represent molecules as continuous atomic densities, enabling it to be trained across diverse atomic systems and drug modalities.
+
+Code: [https://github.com/prescient-design/funcbind](https://github.com/prescient-design/funcbind)
+
+This repository provides model weights for FuncBind and preprocessed datasets (train/test CrossDocked).
+The Macrocyclic Peptide Pair (MCP) dataset and its preprocessed splits are available at [https://huggingface.co/datasets/Willete3/mcpp_dataset](https://huggingface.co/datasets/Willete3/mcpp_dataset).
+
+For detailed instructions on installation, data preparation, sampling, and training, please refer to the comprehensive [GitHub repository](https://github.com/prescient-design/funcbind).
+
+## Sample Usage
+
+After setting up the environment and downloading the necessary checkpoints as outlined in the [GitHub repository](https://github.com/prescient-design/funcbind), you can sample macrocyclic peptides (MCPs) from the model using the following command:
+
+```bash
+python sample_fb.py --config-name sample_fb_mcpp
+```