scipion-chem's repositories
scipion-chem
Base Scipion plugin defining objects and protocols for CHEMoinformatics
scipion-chem-autodock
Scipion framework plugin for the use of tools provided by Autodock software suite
scipion-chem-p2rank
Repository which incorporates the p2rank software in scipion
docs
Documentation for the Scipion-chem framework
scipion-chem-bepipred
Plugin to use BepiPred for B-cell epitope prediction
scipion-chem-blast
Plugin to run blast in scipion
scipion-chem-ddg
Scipion-chem plugin that integrates functions to use DDG epitope evaluations
scipion-chem-diffdock
Scipion-chem plugin that integrates DiffDock software
scipion-chem-fpocket
Plugin of fpocket software, integrated in the scipion framework
scipion-chem-gromacs
GROMACS plug-in for Scipion. Pedro Febrer MartĂnez Master thesis.
scipion-chem-iedb
Plugin that integrates the use of epitope predictions and other tools from IEDB
scipion-chem-iiitd
Plugin that integrates the use of epitope selections and evaluations from IIITD (https://www.iiitd.ac.in/)
scipion-chem-lephar
Plugin for LePhar docking software
scipion-chem-modeller
Plugin for using modeller software inside scipion.
scipion-chem-rosetta
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
scipion-chem-schrodinger
Scipion framework plugin for the use of tools provided by Schrodinger software suite
scipion-chem-conplex
Plugin to use ConPLex model for virtual drug screening
scipion-chem-durrantlab
Scipion-chem plugin for Durrant Lab software
scipion-chem-openmm
Plugin for OpenMM software