Repositories list

• Optimisation-based-Modelling-for-Explainable-Lead-Discovery-in-Malaria

  Public
  Jupyter Notebook

  •2•1•0•0•Updated Nov 1, 2023Nov 1, 2023

• melanoma-ig

  Public
  Analysis for Crescioli et al. B-cell response in Melanoma

  R

  •

  GNU General Public License v3.0

  •1•0•0•0•Updated Apr 21, 2023Apr 21, 2023

• Similarity-Fusion-GRMF

  Public
  Jupyter Notebook

  •2•0•0•0•Updated Feb 2, 2023Feb 2, 2023

• coxae

  Public
  Jupyter Notebook

  •

  MIT License

  •2•0•0•0•Updated Jun 21, 2022Jun 21, 2022

• DT2Vec

  Public
  Implementation of DT2Vec (a novel drug-target interaction via link prediction and network embedding) in Python and R

  Jupyter Notebook

  •3•0•0•0•Updated Nov 8, 2021Nov 8, 2021

• modSAR

  Public
  Source code for the paper Cardoso-Silva, J., Papageorgiou, L. G. & Tsoka, S. (2019) Network-based piecewise linear regression for QSAR modelling. http://link.springer.com/10.1007/s10822-019-00228-6

  complex-networksmodularityqsar+ 3mixed-integer-programmingqsar-modelspython

  Jupyter Notebook

  •

  MIT License

  •1•0•3•0•Updated Jul 27, 2021Jul 27, 2021

• OPLRAreg

  Public
  Mixed Integer Piecewise Regression Algorithm with Regularisation

  integer-programmingqsarpiecewise+ 3mathematical-programmingalgorithmregularisation

  Python

  •

  GNU General Public License v3.0

  •0•4•0•0•Updated Oct 23, 2020Oct 23, 2020

• qsar-tutorial

  Public
  QSAR Tutorial - Obtaining data from ChEMBL and playing around with RDKit

  Jupyter Notebook

  •1•4•0•0•Updated Apr 1, 2019Apr 1, 2019

• JoRo_PRO

  Public
  Database development for Joseph's project

  1•0•0•0•Updated Feb 26, 2019Feb 26, 2019

• qsar-models

  Public
  Data and regression models for QSAR

  HTML

  •

  GNU General Public License v3.0

  •2•5•0•0•Updated Oct 16, 2018Oct 16, 2018