Pinned Repositories
alphafold-cv-test
anncolvar
Collective variables by artificial neural networks
apLCMS
fork of https://github.com/tianwei-yu/apLCMS
ASMSA
binder-demo1
Simple tutorial example of binder enabled demo with trivial calcuation
binder-demo2
More complex tutorial example of binder enabled repo based on NVidia NGC image
binder-test-1
chicken-and-egg
gromacs-plumed-docker
pdb-chain-clustering
Fast Indexed Search of Similar Protein Chains in PDB
ljocha's Repositories
ljocha/trpcagedemo
ljocha/fragmass
simple wrapper over rcdk::generate.formula -- generate candidate exact massess for a nominal mass
ljocha/galaxytools
Set of Galaxy tool wrappers developed at RECETOX
ljocha/esparinem-linreduce
ljocha/gromacs-afcv-eval
ljocha/cryo-em-docs
ljocha/binder-demo1
Simple tutorial example of binder enabled demo with trivial calcuation
ljocha/binder-demo2
More complex tutorial example of binder enabled repo based on NVidia NGC image
ljocha/spiwok-aee-test
ljocha/anncolvar
Collective variables by artificial neural networks
ljocha/gorta-roi
ljocha/DeepEI
Predicting molecular fingerprint from electron−ionization mass spectrum with deep neural networks
ljocha/alphafold-cv-test
ljocha/ms-piskvorky
ljocha/apLCMS
fork of https://github.com/tianwei-yu/apLCMS
ljocha/essential-dynamics-tools
Simple tools to compute and compare essential dynamics of proteins
ljocha/binder-test-1
ljocha/pdb-chain-clustering
Fast Indexed Search of Similar Protein Chains in PDB