rvhonorato
Research Software Engineer with a PhD in Bioinformatics working with Structural Computational Biology, web technologies and everything in between
@UtrechtUniversityUtrecht, Netherlands
Pinned Repositories
gdock
Protein-Protein Docking using Genetic Algorithm
haddock-restraints
Generate restraints to be used in HADDOCK
haddock-runner
Run large scale HADDOCK simulations using multiple input molecules in different scenarios
haddock3
Official repo of the modular BioExcel version of HADDOCK
haddock3-webapp
Web app which is front-end for bartender and wraps workflow builder with haddock3 catalog
3D-DART
Standalone code for 3D-DART (originally developed by Marc van Dijk)
alphafold-hpc-wrapper
AlphaFold-wrapper for small HPC
arctic3d
Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information
cazy-parser
A way to extract specific information from CAZy
remotesysmonitor
A simple CLI to perform checks in your servers
rvhonorato's Repositories
rvhonorato/cazy-parser
A way to extract specific information from CAZy
rvhonorato/alphafold-hpc-wrapper
AlphaFold-wrapper for small HPC
rvhonorato/remotesysmonitor
A simple CLI to perform checks in your servers
rvhonorato/arctic3d
Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information
rvhonorato/bioexcel-exascale-co-design-benchmarks
Exascale co-design benchmarks and kernels. These either relate to or are extracted from the BioExcel core applications: GROMACS, HADDOCK, and CP2K
rvhonorato/cport
Source code for CPORT
rvhonorato/FANDAS_2.0
rvhonorato/gdock-benchmark
rvhonorato/gitignore
A collection of useful .gitignore templates
rvhonorato/fast-rmsdmatrix
a dependency-free C code for parallel rmsd and il-rmsd matrix calculation
rvhonorato/freesasa-rs
A rust crate to interface with the freesasa library for protein surface area calculations
rvhonorato/go-gentbl
rvhonorato/gomailer
A simple CLI to send templated e-mails
rvhonorato/HADDOCK-binding-sites-tutorial
rvhonorato/haddock-restraints
Generate restraints to be used in HADDOCK
rvhonorato/haddock_pycompss
rvhonorato/haddocking.github.io
Webpage of the HADDOCK group
rvhonorato/parKVFinder
parKVFinder: thread-level parallel KVFinder v1.0
rvhonorato/pdb-handler
rvhonorato/pdbtbx
A library to open/edit/save (crystallographic) Protein Data Bank (PDB) and mmCIF files in Rust.
rvhonorato/prodigy-cryst
Contacts-based classifier of biological and crystallographic interfaces
rvhonorato/python-ihm
Python package for handling IHM mmCIF and BinaryCIF files
rvhonorato/rustlings
:crab: Small exercises to get you used to reading and writing Rust code!
rvhonorato/rvhonorato
rvhonorato/slurml
slurml is a RESTful interface for Slurm schedulers, providing secure HTTP endpoints for job management without direct user login to HPC nodes.
rvhonorato/SPServer
Assessment of the quality of protein folds and protein-protein interaction interfaces using statistical potentials
rvhonorato/Struct2Graph
A PyTorch implementation of GCN with mutual attention for protein-protein interaction prediction
rvhonorato/unmr-nl
website for the unmr-nl facility
rvhonorato/workflow_template
Use Case I - workflow
rvhonorato/xenon-docker-images
Dockerfiles for Xenon integration testing