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    • Python
      0001Updated Sep 3, 2026Sep 3, 2026
    • Python
      Apache License 2.0
      0000Updated Sep 2, 2026Sep 2, 2026
    • Risk assessment of atropisomers with cheminformatics and QM.
      Jupyter Notebook
      Apache License 2.0
      1011Updated Aug 20, 2026Aug 20, 2026
    • GenCDR

      Public
      Generative antibody language models for framework-conditioned CDR design, scoring, and preference-based alignment.
      Python
      Apache License 2.0
      0100Updated Aug 19, 2026Aug 19, 2026
    • uffpsim

      Public
      C++
      MIT License
      1100Updated Aug 18, 2026Aug 18, 2026
    • Ontoverse web app for cartographic exploration of knowledge spaces, nurtured by the ontoverse-kg-choreographer
      TypeScript
      Apache License 2.0
      1716Updated Aug 7, 2026Aug 7, 2026
    • cellatria

      Public
      An Agentic AI Framework for Ingestion and Standardization of Single-Cell RNA-seq Data Analysis
      Python
      Apache License 2.0
      268910Updated Aug 6, 2026Aug 6, 2026
    • A collection of research papers, datasets and software related to knowledge graphs for drug discovery. Accompanies the paper "A review of biomedical datasets re…
      Apache License 2.0
      3126900Updated Jul 27, 2026Jul 27, 2026
    • R
      Apache License 2.0
      0000Updated Jul 27, 2026Jul 27, 2026
    • Jupyter Notebook
      0001Updated Jul 24, 2026Jul 24, 2026
    • Pipeline for assembling the knowledge graph nurturing the ontoverse-app
      Python
      Apache License 2.0
      0116Updated Jul 21, 2026Jul 21, 2026
    • ISpyMSI

      Public
      Python
      Apache License 2.0
      0202Updated Jul 17, 2026Jul 17, 2026
    • fdu-pisi

      Public
      Fundamental Dynamical Units for Physics-Informed Structural Inference
      Python
      Apache License 2.0
      0101Updated Jul 17, 2026Jul 17, 2026
    • Code to accompany paper
      Jupyter Notebook
      Apache License 2.0
      0101Updated Jul 17, 2026Jul 17, 2026
    • mosses

      Public
      Toolkit for analysing molecular property predictive models.
      Python
      Apache License 2.0
      1200Updated Jul 17, 2026Jul 17, 2026
    • Python
      3303Updated Jun 10, 2026Jun 10, 2026
    • Python
      0001Updated Jun 5, 2026Jun 5, 2026
    • Jupyter Notebook
      Apache License 2.0
      182600Updated May 22, 2026May 22, 2026
    • boat

      Public
      Multi-objective Bayesian optimization for antibody lead optimization with multiple property predictors
      Python
      36212Updated May 20, 2026May 20, 2026
    • ESM and ESM+GNN models for predicting asparagine deamidation in biologics — code accompanying the Briefings in Bioinformatics publication.
      Python
      Apache License 2.0
      1010Updated May 18, 2026May 18, 2026
    • 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
      2700Updated May 6, 2026May 6, 2026
    • PGEL

      Public
      Python
      Apache License 2.0
      0000Updated May 4, 2026May 4, 2026
    • R package PRIME
      HTML
      MIT License
      0020Updated Apr 29, 2026Apr 29, 2026
    • runnable

      Public
      Runnable
      Python
      Apache License 2.0
      45273Updated Apr 27, 2026Apr 27, 2026
    • Smoothed Hazard Simulation Study
      R
      Apache License 2.0
      0010Updated Apr 21, 2026Apr 21, 2026
    • Free Wilson analysis
      Python
      Apache License 2.0
      1110Updated 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
      0010Updated Apr 15, 2026Apr 15, 2026
    • Collection of tools to calculate properties of natural or synthetic peptides and proteins.
      Python
      MIT License
      137601Updated Apr 13, 2026Apr 13, 2026
    • G-SPAID

      Public
      G-function Area Spatial Proximity Analysis Independent of cell Density
      R
      Apache License 2.0
      1010Updated Apr 10, 2026Apr 10, 2026
    • vlm

      Public
      Official implementation for "Diffusion Instruction Tuning"
      Python
      53500Updated Apr 1, 2026Apr 1, 2026
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