Pinned Repositories
Bartender
Automated bonded parameters for Martini 3
bartender
boo
Gradient Boosting in Go (golang)
examples_gochem
goanalyze
goAnalyze provides structural and dynamical analysis capabilities to PyMOL
gochem
A library for Computational Chemistry in the Go programming language
gochem-tests
gomd
Simple command-line program for MD trajectory analysis
libsvm-go
Full port of LIBSVM in the Go programming language
qdgt
The Quick and Dirty GROMACS-TURBOMOLE interface.
rmera's Repositories
rmera/gochem
A library for Computational Chemistry in the Go programming language
rmera/goanalyze
goAnalyze provides structural and dynamical analysis capabilities to PyMOL
rmera/boo
Gradient Boosting in Go (golang)
rmera/bartender
rmera/gomd
Simple command-line program for MD trajectory analysis
rmera/qdgt
The Quick and Dirty GROMACS-TURBOMOLE interface.
rmera/examples_gochem
rmera/gochem-tests
rmera/libsvm-go
Full port of LIBSVM in the Go programming language
rmera/ncipy
A tiny script for displaying Nciplot surfaces in PyMOL
rmera/pqmt
A script to connect third-party QM programs to the pDynamo QMMM Python library
rmera/pythontut
Pequeno tutorial de Python basico, en castellano, en forma de Jupyter notebook
rmera/ree
Replica Exchange Engine
rmera/chasqui
rmera/docencia
Teaching content in Spanish.
rmera/fopBO
A bond order indicator for big systems.
rmera/Giba
GImic for Bond Analysis
rmera/gopymol
A framework to code PyMOL plugins in Go using goChem.
rmera/qdta
A PyMOL script for quick MD trajectory analysis
rmera/ra
rmera/red2gmx
Automated creation of a Gromacs topology/coordinates from Reduce-protonated structures
rmera/rmera.github.io
rmera/scu
A small set of tools that used to belong to gochem.
rmera/sguallino
rmera/toybayes