diff --git a/profile/README.md b/profile/README.md index 32611ca..aecf78c 100644 --- a/profile/README.md +++ b/profile/README.md @@ -5,17 +5,17 @@ Welcome to the Ligand Discovery Project's main codebase. This project is led by Below, you will find links to the repositories associated with the various components of the project: #### Data Analysis & Paper Figures -- [**primary-paper-figures**](https://github.com/ligand-discovery/primary-paper-figures): Executable notebooks to produce the main paper figures. -- [**interactome-signatures**](https://github.com/ligand-discovery/interactome-signatures): Executable notebooks for discovering interactome signatures from the primary screening data. +- [**primary-paper-figures**](https://github.com/ligand-discovery/primary-paper-figures): Executable notebooks to produce the main paper figures. [DOI](https://zenodo.org/records/10838149). +- [**interactome-signatures**](https://github.com/ligand-discovery/interactome-signatures): Executable notebooks for discovering interactome signatures from the primary screening data. [DOI](https://zenodo.org/records/10838089) #### Model Training -- [**fragment-embedding**](https://github.com/ligand-discovery/fragment-embedding): Train and predict fully-functionalized fragment descriptors. -- [**mini-automl**](https://github.com/ligand-discovery/mini-automl): Train small machine learning models using TabPFN. Includes scripts for promiscuity models and interactome signature models. -- [**mini-xai**](https://github.com/ligand-discovery/mini-xai): Notebook for the Shapley value analysis. +- [**fragment-embedding**](https://github.com/ligand-discovery/fragment-embedding): Train and predict fully-functionalized fragment descriptors. [DOI](https://zenodo.org/records/10838065) +- [**mini-automl**](https://github.com/ligand-discovery/mini-automl): Train small machine learning models using TabPFN. Includes scripts for promiscuity models and interactome signature models. [DOI](https://zenodo.org/records/10838095) +- [**mini-xai**](https://github.com/ligand-discovery/mini-xai): Notebook for the Shapley value analysis. [DOI](https://zenodo.org/records/10838141) #### Streamlit Apps - [**interactions**](https://github.com/ligand-discovery/interactions): explore screening data as a standalone application. -- [**protein-profile-explorer**](https://github.com/ligand-discovery/protein-profile-explorer): Deploy the protein profile explorer (a.k.a. background checker). -- [**protein-set-enrichment-analysis**](https://github.com/ligand-discovery/protein-set-enrichment-analysis): Deploy the protein set enrichment analysis. -- [**fragment-predictor**](https://github.com/ligand-discovery/fragment-predictor): Deploy the fragment predictor based on promiscuity and interactome signature models. -- [**on-the-fly-modeling**](https://github.com/ligand-discovery/on-the-fly-modeling): Simple app for on-demand modeling. +- [**protein-profile-explorer**](https://github.com/ligand-discovery/protein-profile-explorer): Deploy the protein profile explorer (a.k.a. background checker). [DOI](https://zenodo.org/records/10838104) +- [**protein-set-enrichment-analysis**](https://github.com/ligand-discovery/protein-set-enrichment-analysis): Deploy the protein set enrichment analysis. [DOI](https://zenodo.org/records/10838110) +- [**fragment-predictor**](https://github.com/ligand-discovery/fragment-predictor): Deploy the fragment predictor based on promiscuity and interactome signature models. [DOI](https://zenodo.org/records/10838071) +- [**on-the-fly-modeling**](https://github.com/ligand-discovery/on-the-fly-modeling): Simple app for on-demand modeling. [DOI](https://zenodo.org/records/10838098)