Electronic and Atomic Protein Modeling (EAPM-BSC)

BSC-CNS-EAPM

Electronic and Atomic Protein Modeling (EAPM-BSC)'s repositories

EAPM-plugins

Language:PythonGPL-3.0000

Immunoinformatics-plugin

Language:PythonGPL-3.0000

NetCleave

Language:Python100

biobb_asitedesign

Language:PythonApache-2.0000

BIOML-plugin

Language:PythonMIT000

MN_bash_runners

A collection of bash files to launch jobs in different MareNostrum clusters

Language:ShellGPL-3.0200

AHATool-container

Language:ShellGPL-3.0000

ML-training

Language:Jupyter Notebook000

Neoantigens-NOAH

Code for the method NOAH

Language:Python000

FRESCO-plugins

Language:PythonGPL-3.0000

AdaptivePELE

AdaptivePELE is a Python package aimed at enhancing the sampling of molecular simulations

Language:PythonMIT1400

AsiteDesign-container

Language:ShellGPL-3.0200

biobb_ahatool

Language:PythonApache-2.0000

biobb_bioml

Language:PythonApache-2.0000

FOxizyme-Workshop

Language:Python000

Mon-MHC

Mon-MHC, a predictor of the MHC-I-peptide binding affinity.

100

HMMER-container

Language:DockerfileGPL-3.0000

pele_platform-container

Language:DockerfileGPL-3.0000

pele_platform

Wrap up Platform to launch all PELE features. [AdaptivePELE, MSM, LigandGrowing, Glide Rescoring]

Apache-2.0000

brewpitopes

Set of tools to manage epitope prediction results from linear and structural origin and to integrate a pipeline of prioritization filters.

Language:Jupyter Notebook000

pmx

Toolkit for free-energy calculation setup/analysis and biomolecular structure handling

LGPL-3.0000

frag_pele

FrAG, a new tool for in silico hit-to-lead drug design, capable of growing a fragment into a core while exploring the protein-ligand conformational space

MIT000

lib_prep

Python package to analyse and prepare libraries of chemical compounds for molecular simulations.

MIT000