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    106 repositories

    • boat

      Public
      Multi-objective Bayesian optimization for antibody lead optimization with multiple property predictors
      Python
      •3•5•1•11•Updated May 12, 2026May 12, 2026

    • ontoverse-kg-choreographer

      Public
      Pipeline for assembling the knowledge graph nurturing the ontoverse-app
      Python
      •
      Apache License 2.0
      •0•1•1•4•Updated May 11, 2026May 11, 2026

    • MVDA_exploration_tools

      Public
      Multivariate data analysis (MVDA) exploration tool is a Python library utilizing the scikit-learn library for partial least squares (PLS) and principal componen…
      Jupyter Notebook
      •
      Apache License 2.0
      •2•7•0•0•Updated May 6, 2026May 6, 2026

    • awesome-drug-discovery-knowledge-graphs

      Public
      A collection of research papers, datasets and software related to knowledge graphs for drug discovery. Accompanies the paper "A review of biomedical datasets re…
      knowledge-graphdrug-discoveryawesome-list
      knowledge-graphdrug-discoveryawesome-listdrug-discovery-knowledge-graph
      Apache License 2.0
      •31•254•0•0•Updated May 6, 2026May 6, 2026

    • fdu-pisi

      Public
      Fundamental Dynamical Units for Physics-Informed Structural Inference
      Python
      •
      Apache License 2.0
      •0•0•0•0•Updated May 4, 2026May 4, 2026

    • r-package-prime

      Public
      R package PRIME
      HTML
      •
      MIT License
      •0•0•2•0•Updated Apr 29, 2026Apr 29, 2026

    • persist-seq-galaxy-tools-setup

      Public
      Python
      •0•0•0•1•Updated Apr 28, 2026Apr 28, 2026

    • runnable

      Public
      Runnable
      Python
      •
      Apache License 2.0
      •5•52•7•3•Updated Apr 27, 2026Apr 27, 2026

    • mosses

      Public
      Toolkit for analysing molecular property predictive models.
      Python
      •
      Apache License 2.0
      •1•1•0•0•Updated Apr 21, 2026Apr 21, 2026

    • smoothed-hazard-simulation-external

      Public
      Smoothed Hazard Simulation Study
      R
      •
      Apache License 2.0
      •0•0•1•0•Updated Apr 21, 2026Apr 21, 2026

    • atropisomers_workflow

      Public
      Risk assessment of atropisomers with cheminformatics and QM.
      epex
      epex
      Jupyter Notebook
      •
      Apache License 2.0
      •1•0•1•0•Updated Apr 20, 2026Apr 20, 2026

    • FWAnalysis

      Public
      Free Wilson analysis
      Python
      •
      Apache License 2.0
      •1•1•1•0•Updated Apr 15, 2026Apr 15, 2026

    • RBSB

      Public
      R code for the Robust Bayesian Sequential Borrowing (RBSB) simulation study and case study analysis accompanying the publication.
      R
      •
      Apache License 2.0
      •0•0•1•0•Updated Apr 15, 2026Apr 15, 2026

    • multimodal_data_fusion

      Public
      Python
      •2•3•0•3•Updated Apr 13, 2026Apr 13, 2026

    • peptide-tools

      Public
      Collection of tools to calculate properties of natural or synthetic peptides and proteins.
      Python
      •
      MIT License
      •13•71•0•1•Updated Apr 13, 2026Apr 13, 2026

    • ontoverse-app

      Public
      Ontoverse web app for cartographic exploration of knowledge spaces, nurtured by the ontoverse-kg-choreographer
      TypeScript
      •
      Apache License 2.0
      •1•3•1•6•Updated Apr 11, 2026Apr 11, 2026

    • G-SPAID

      Public
      G-function Area Spatial Proximity Analysis Independent of cell Density
      R
      •
      Apache License 2.0
      •1•0•1•0•Updated Apr 10, 2026Apr 10, 2026

    • vlm

      Public
      Official implementation for "Diffusion Instruction Tuning"
      post-trainingmultimodal-alignmentsupervised-finetuning
      post-trainingmultimodal-alignmentsupervised-finetuningvision-language-modelmultimodal-large-language-models
      Python
      •5•35•0•0•Updated Apr 1, 2026Apr 1, 2026

    • NMED-A143379A-Z

      Public
      Code to support Nature Medicine publication NMED-A143379A-Z. This repository contains the code and sample data used for the analyses presented in the accompanyi…
      Jupyter Notebook
      •
      Other
      •1•0•1•0•Updated Mar 17, 2026Mar 17, 2026

    • TEMPUS_IO_resistance

      Public
      Code supporting Keddar et al. (JITC 2026): Pan-cancer analysis in the real-world setting uncovers immunogenomic drivers of acquired resistance post-immunotherap…
      bioinformaticsrgenomics
      bioinformaticsrgenomicsrwdtranscriptomicsimmunotherapyoncology
      R
      •
      Apache License 2.0
      •0•0•0•0•Updated Mar 13, 2026Mar 13, 2026

    • rshiny_cuimet

      Public
      CUI-MET: A Clinical Utility Index Based Analysis and Decision Framework for Dose Optimization in Multiple-Dose, Multiple-Outcome Randomized Trials
      R
      •
      Apache License 2.0
      •0•0•0•0•Updated Mar 9, 2026Mar 9, 2026

    • biomedical-kg-topological-imbalance

      Public
      Code to accompany the "Implications of Topological Imbalance for Representation Learning on Biomedical Knowledge Graphs" (Briefings in Bioinformatics, 2022)
      knowledge-graphdrug-discoveryknowledge-graph-completion
      knowledge-graphdrug-discoveryknowledge-graph-completiontarget-predictiondrug-discovery-knowledge-graph
      Jupyter Notebook
      •
      Apache License 2.0
      •0•19•0•5•Updated Feb 11, 2026Feb 11, 2026

    • HitPriority

      Public
      App to prioritise hits from FRET and FP screens
      HTML
      •
      Apache License 2.0
      •0•0•0•0•Updated Feb 3, 2026Feb 3, 2026

    • coving-index-demo

      Public
      Minimal, reproducible Python implementation of the Coving Index — a novel endpoint introduced in our publication.
      Jupyter Notebook
      •
      Other
      •0•0•0•0•Updated Jan 23, 2026Jan 23, 2026

    • cellatria

      Public
      An Agentic AI Framework for Ingestion and Standardization of Single-Cell RNA-seq Data Analysis
      Python
      •
      Apache License 2.0
      •22•71•1•0•Updated Jan 23, 2026Jan 23, 2026

    • regflow

      Public
      R
      •
      MIT License
      •2•0•0•0•Updated Jan 15, 2026Jan 15, 2026

    • maraca

      Public
      R package for the creation of "maraca" plots
      R
      •
      Other
      •2•3•5•1•Updated Jan 14, 2026Jan 14, 2026

    • kgem-in-drug-discovery

      Public
      Code to accompany the "Understanding the Performance of Knowledge Graph Embeddings in Drug Discovery" manuscript (Artificial Intelligence in the Life Sciences, …
      knowledge-graphdrug-discoveryknowledge-graph-embeddings
      knowledge-graphdrug-discoveryknowledge-graph-embeddingstarget-predictionknowledge-graph-embedding-modelsdrug-discovery-knowledge-graph
      Python
      •
      Apache License 2.0
      •6•34•0•2•Updated Jan 8, 2026Jan 8, 2026

    • jazzy

      Public
      Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules.
      Python
      •
      Other
      •12•115•1•22•Updated Dec 5, 2025Dec 5, 2025

    • napari-wsi

      Public
      A plugin to read whole slide images within napari.
      Python
      •
      Apache License 2.0
      •2•21•1•0•Updated Nov 24, 2025Nov 24, 2025
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