Repositories list

• scipion-chem

  Public
  Base Scipion plugin defining objects and protocols for CHEMoinformatics

  protein-structuremodellingchemoinformatics+ 2basescipion

  Python

  •

  GNU Affero General Public License v3.0

  •1•7•1•3•Updated Nov 13, 2024Nov 13, 2024

• scipion-chem-schrodinger

  Public
  Scipion framework plugin for the use of tools provided by Schrodinger software suite

  maestroglidedocking+ 2schrodingerscipion

  Python

  •

  GNU Affero General Public License v3.0

  •2•0•1•0•Updated Nov 13, 2024Nov 13, 2024

• scipion-chem-foldxsuite

  Public
  Wrappers to FoldXSuite

  Python

  •

  GNU General Public License v3.0

  •0•0•0•0•Updated Oct 28, 2024Oct 28, 2024

• scipion-chem-alexov

  Public
  Wrappers to Alexov lab programs

  Python

  •

  GNU General Public License v3.0

  •0•0•0•0•Updated Oct 28, 2024Oct 28, 2024

• scipion-chem-iedb

  Public
  Plugin that integrates the use of epitope predictions and other tools from IEDB

  Python

  •

  GNU General Public License v3.0

  •0•0•0•0•Updated Sep 25, 2024Sep 25, 2024

• scipion-chem-gromacs

  Public
  GROMACS plug-in for Scipion. Pedro Febrer Martínez Master thesis.

  cheminformaticsscipion

  Python

  •

  GNU General Public License v3.0

  •0•0•0•0•Updated Sep 16, 2024Sep 16, 2024

• scipion-chem-modeller

  Public
  Plugin for using modeller software inside scipion.

  chemoinformaticsscipion

  Python

  •

  GNU General Public License v3.0

  •0•0•0•0•Updated Sep 16, 2024Sep 16, 2024

• scipion-chem-fpocket

  Public
  Plugin of fpocket software, integrated in the scipion framework

  cheminformaticsscipionfpocket

  Python

  •

  GNU General Public License v3.0

  •0•0•0•0•Updated Sep 16, 2024Sep 16, 2024

• scipion-chem-immuno

  Public
  Plugin that integrates immunoinformatic tools

  Python

  •

  GNU Affero General Public License v3.0

  •0•0•0•1•Updated Sep 16, 2024Sep 16, 2024

• scipion-chem-rosetta

  Public
  Scipion framework plugin for the use of tools provided in the Rosetta software suite. Currently it has protocols for the use of the Rosetta DARC docking software

  dockingrosettaprotein-protein-interaction+ 1scipion

  Python

  •

  GNU General Public License v3.0

  •0•0•0•0•Updated Sep 16, 2024Sep 16, 2024

• scipion-chem-p2rank

  Public
  Repository which incorporates the p2rank software in scipion

  cheminformaticsscipionp2rank

  Python

  •

  GNU General Public License v3.0

  •0•1•0•0•Updated Sep 16, 2024Sep 16, 2024

• scipion-chem-blast

  Public
  Plugin to run blast in scipion

  cheminformaticsblastscipion

  Python

  •

  GNU General Public License v3.0

  •0•0•0•0•Updated Sep 16, 2024Sep 16, 2024

• scipion-chem-diffdock

  Public
  Scipion-chem plugin that integrates DiffDock software

  Python

  •

  GNU General Public License v3.0

  •0•0•0•0•Updated Sep 16, 2024Sep 16, 2024

• scipion-chem-openmm

  Public
  Plugin for OpenMM software

  openmmchemoinformaticsscipion

  Python

  •

  GNU General Public License v3.0

  •0•0•0•0•Updated Sep 16, 2024Sep 16, 2024

• scipion-chem-lephar

  Public
  Plugin for LePhar docking software

  cheminformaticsscipion

  Python

  •

  GNU Affero General Public License v3.0

  •0•0•0•0•Updated Sep 16, 2024Sep 16, 2024

• scipion-chem-durrantlab

  Public
  Scipion-chem plugin for Durrant Lab software

  chemoinformaticsscipiondurrantlab

  Python

  •

  GNU General Public License v3.0

  •0•0•0•0•Updated Sep 16, 2024Sep 16, 2024

• scipion-chem-autodock

  Public
  Scipion framework plugin for the use of tools provided by Autodock software suite

  dockingautodockscipion

  Python

  •

  GNU Affero General Public License v3.0

  •0•1•0•0•Updated Sep 13, 2024Sep 13, 2024

• .github

  Public
  A repository for storing common files for the organization

  GNU General Public License v3.0

  •0•0•0•0•Updated Sep 13, 2024Sep 13, 2024

• scipion-chem-coprinet

  Public
  Python

  •

  GNU General Public License v3.0

  •0•0•0•1•Updated Sep 11, 2024Sep 11, 2024

• scipion-chem-bepipred

  Public
  Plugin to use BepiPred for B-cell epitope prediction

  Python

  •

  GNU General Public License v3.0

  •0•0•0•0•Updated Sep 11, 2024Sep 11, 2024

• scipion-chem-conplex

  Public
  Plugin to use ConPLex model for virtual drug screening

  Python

  •

  GNU General Public License v3.0

  •0•0•0•0•Updated Sep 11, 2024Sep 11, 2024

• scipion-chem-ddg

  Public
  Scipion-chem plugin that integrates functions to use DDG epitope evaluations

  Python

  •

  GNU General Public License v3.0

  •0•0•0•0•Updated Sep 10, 2024Sep 10, 2024

• scipion-chem-toxcsm

  Public
  Python

  •

  GNU General Public License v3.0

  •0•0•0•1•Updated Aug 5, 2024Aug 5, 2024

• scipion-chem-protox

  Public
  Python

  •

  GNU General Public License v3.0

  •0•0•0•1•Updated Aug 5, 2024Aug 5, 2024

• docs

  Public
  Documentation for the Scipion-chem framework

  docsscipion

  CSS

  •

  GNU General Public License v3.0

  •0•0•0•0•Updated Jul 6, 2024Jul 6, 2024