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
cazy-parser
A way to extract specific information from CAZy
cealign
Implementation of the Combinatorial Extension (cealign) algorithm to align protein structures
remotesysmonitor
A simple CLI to perform checks in your servers
rvhonorato's Repositories
rvhonorato/3D-DART
Standalone code for 3D-DART (originally developed by Marc van Dijk)
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/HADDOCK-binding-sites-tutorial
rvhonorato/parKVFinder
parKVFinder: thread-level parallel KVFinder v1.0
rvhonorato/samplex
rvhonorato/sfrag
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