ElianeBriand

Pinned Repositories

chemoinfo-snippets
Chemoinformatics snippets repository: http://chemoinfo-snippets.xyz
Language:TypeScript1 2 00
conda-rdkit
Conda build recipe for the rdkit
Language:C0 1 00
ensmallen
A header-only C++ library for numerical optimization --
Language:C++00
fesutils
Free Energy Surface utilities: fast post-processing of Plumed MetaD output
Language:C++0 2 00
gmxplumed
Dockerfile for Gromacs wih GPU support and PLUMED plugin.
Language:Dockerfile00
GoodEnoughInstruments
PCB designs & software for DIY instrumentation
Language:C0 2 00
igem2018-angularwiki
Source for iGEM2018 Team GO ParisSaclay wiki
Language:HTML00
plasmid-sketcher
Visual plasmid sketcher
Language:JavaScript4 1 01
SMolDock
A protein-ligand docking software ! Modern C++, extensibility, and more ! [Note: not maintained anymore, dubiously functional, caveat emptor]
Language:C++2 1 05
svina
QVina 2, with a few added features for screening.
Language:C++1 1 02

ElianeBriand's Repositories

ElianeBriand/plasmid-sketcher
Visual plasmid sketcher
Language:JavaScript4 1 01
ElianeBriand/SMolDock
A protein-ligand docking software ! Modern C++, extensibility, and more ! [Note: not maintained anymore, dubiously functional, caveat emptor]
Language:C++2 1 05
ElianeBriand/chemoinfo-snippets
Chemoinformatics snippets repository: http://chemoinfo-snippets.xyz
Language:TypeScript1 2 00
ElianeBriand/svina
QVina 2, with a few added features for screening.
Language:C++1 1 02
ElianeBriand/conda-rdkit
Conda build recipe for the rdkit
Language:C0 1 00
ElianeBriand/ensmallen
A header-only C++ library for numerical optimization --
Language:C++00
ElianeBriand/fesutils
Free Energy Surface utilities: fast post-processing of Plumed MetaD output
Language:C++0 2 00
ElianeBriand/gmxplumed
Dockerfile for Gromacs wih GPU support and PLUMED plugin.
Language:Dockerfile00
ElianeBriand/GoodEnoughInstruments
PCB designs & software for DIY instrumentation
Language:C0 2 00
ElianeBriand/igem2018-angularwiki
Source for iGEM2018 Team GO ParisSaclay wiki
Language:HTML00
ElianeBriand/mdanalysis
MDAnalysis is a Python library to analyze molecular dynamics trajectories.
ElianeBriand/PDBPC
PDB Parsing & Conformity in C++ : easy to use PDB file parser, with file formatting errors reporter/corrector
Language:C++1 0
ElianeBriand/plumed2
Development version of plumed 2
Language:C++
ElianeBriand/rdkit
The official sources for the RDKit library
Language:C++
ElianeBriand/tudat
Fork to implement python bindings, see PyBindings branch
Language:C++