EmileDeBruyn

Pinned Repositories

biobb_md
Biobb_md is the Biobb module collection to perform molecular dynamics simulations.
Language:Python00
exams
Personal fork of R/exams — Automatic Generation of Exams in R. Homepage: http://www.R-exams.org/ Report bugs for this package: http://www.R-exams.org/contact/
Language:R00
f90nml
A Python module and command line tool for working with Fortran namelists. Case-sensitive for Molsim input.
Language:Python00
hearts-gym
Multi-agent Hearts card game environment
Language:Python00
JSC-easybuild
This is the public easybuild repository of JSC.
Language:Python00
MDBenchmark
Quickly generate, start and analyze benchmarks for molecular dynamics simulations.
Language:Python00
molsim
Personal fork of Per Linse's MOLSIM. Used to develop new features I need in my research.
Language:Fortran00
numpy_scf
Self-Consistent Field methods written using NumPy
Language:Python00
orgmk
Automate export (PDF, HTML, etc.) of Org documents
Language:Emacs Lisp00
speadi
A Python package that aims to characterise the dynamics of local chemical environments from Molecular Dynamics trajectories of proteins and other biomolecules. Public mirror of https://gitlab.jsc.fz-juelich.de/slbio/speadi.
Language:Python7 4 01

EmileDeBruyn's Repositories

EmileDeBruyn/biobb_md
Biobb_md is the Biobb module collection to perform molecular dynamics simulations.
Language:Python00
EmileDeBruyn/exams
Personal fork of R/exams — Automatic Generation of Exams in R. Homepage: http://www.R-exams.org/ Report bugs for this package: http://www.R-exams.org/contact/
Language:R00
EmileDeBruyn/f90nml
A Python module and command line tool for working with Fortran namelists. Case-sensitive for Molsim input.
Language:Python00
EmileDeBruyn/hearts-gym
Multi-agent Hearts card game environment
Language:Python00
EmileDeBruyn/JSC-easybuild
This is the public easybuild repository of JSC.
Language:Python00
EmileDeBruyn/MDBenchmark
Quickly generate, start and analyze benchmarks for molecular dynamics simulations.
Language:Python00
EmileDeBruyn/molsim
Personal fork of Per Linse's MOLSIM. Used to develop new features I need in my research.
Language:Fortran00
EmileDeBruyn/numpy_scf
Self-Consistent Field methods written using NumPy
Language:Python00
EmileDeBruyn/orgmk
Automate export (PDF, HTML, etc.) of Org documents
Language:Emacs Lisp00
EmileDeBruyn/orgmk-dockerfile
Dockerfile for a container with full capabilities to convert orgmode files on the command line using orgmk.
Language:Dockerfile
EmileDeBruyn/sbi_intro
Tutorial on Simulation Based Inference
Language:Jupyter Notebook
EmileDeBruyn/viparr
Parameterize chemical systems for Desmond and Anton.