lmacaya

Biochemist, Bioinformatician and other stuff.

Quantum Chemistry and Molecular Modeling group (QCMM)Concepción, Chile

Pinned Repositories

automatic-equilibration-detection
Automatic detection of equilibrated regions of molecular simulations
Language:TeX0 0 00
Bash-Oneliner
A collection of handy Bash One-Liners and terminal tricks for data processing and Linux system maintenance.
0 0 00
benchmarksets
Benchmark sets for binding free energy calculations: Perpetual review paper, discussion, datasets, and standards
Language:TeX0 0 00
cp2k
Quantum chemistry and solid state physics software package
Language:Fortran0 0 00
d2-plugy-qol
QOL Mod Pack for Diablo II.
Language:GLSL0 0 00
data-science
:bar_chart: Path to a free self-taught education in Data Science!
0 1 00
fep-benchmark
Benchmark set for relative free energy calculations.
0 0 00
forcebalance
Systematic force field optimization.
Language:Python0 0 00
FreeSolv
Experimental and calculated small molecule hydration free energies
Language:Python00
python_functions
Python course 2019 - Practice session. Udec
Language:Jupyter Notebook1 1 00

lmacaya's Repositories

lmacaya/automatic-equilibration-detection
Automatic detection of equilibrated regions of molecular simulations
Language:TeX0 0 00
lmacaya/open-vm-tools-dkms
open-vm-tools-dkms package for ArchLinux
Language:Diff1 0
lmacaya/statmech
Language:Jupyter Notebook1 0
lmacaya/vmware_patch
VMWare Fusion 7.0.0 patch for shared folder in Ubuntu 14.04.02
Language:Diff1 0