Pinned Repositories
activitywatch
The best free and open-source automated time tracker. Cross-platform, extensible, privacy-focused.
black
The uncompromising Python code formatter
charmm-gui-gmx-AMBER-SLIPIDS
If you have trouble combining CHARMM-GUI + GROMACS and the AMBER-FF with SLipids this repo is here to help.
conda
Specifying a conda environment with `environment.yml`
electroporation_modeling
Bayesian survival analysis of electroporation times from coarse grained molecular dynamics simulations performed by Dr. Lea Rems.
folding_at_home_scripts
This repostiory contains my scripts and notebooks to handle folding@home data
Informing_NMR_experiments_w_MD
Code for: Informing NMR experiments with molecular dynamics simulations to characterize the dominant open state of KcsA. https://doi.org/10.1101/2020.12.14.422800
My_Thesis
My thesis with its latex template.
string-method-swarms-trajectories
An implementation of the string method using GROMACS' python API
sperezconesa's Repositories
sperezconesa/charmm-gui-gmx-AMBER-SLIPIDS
If you have trouble combining CHARMM-GUI + GROMACS and the AMBER-FF with SLipids this repo is here to help.
sperezconesa/activitywatch
The best free and open-source automated time tracker. Cross-platform, extensible, privacy-focused.
sperezconesa/black
The uncompromising Python code formatter
sperezconesa/conda
Specifying a conda environment with `environment.yml`
sperezconesa/electroporation_modeling
Bayesian survival analysis of electroporation times from coarse grained molecular dynamics simulations performed by Dr. Lea Rems.
sperezconesa/folding_at_home_scripts
This repostiory contains my scripts and notebooks to handle folding@home data
sperezconesa/Informing_NMR_experiments_w_MD
Code for: Informing NMR experiments with molecular dynamics simulations to characterize the dominant open state of KcsA. https://doi.org/10.1101/2020.12.14.422800
sperezconesa/My_Thesis
My thesis with its latex template.
sperezconesa/string-method-swarms-trajectories
An implementation of the string method using GROMACS' python API
sperezconesa/cookiecutter-data-science
A logical, reasonably standardized, but flexible project structure for doing and sharing data science work.
sperezconesa/docker-demo-images
Demo images for use in try.jupyter.org and tmpnb.org
sperezconesa/gruvbox
Retro groove color scheme for Vim
sperezconesa/gruvbox.nvim
Lua port of the most famous vim colorscheme
sperezconesa/InfleCS-free-energy-clustering-tutorial
Python tutorial for estimating and clustering free energy landscapes with InfleCS.
sperezconesa/KcsA_string_method_FES
Code to generate the data and figures of the ion channel KcsA string method simulation project.
sperezconesa/mdtraj
An open library for the analysis of molecular dynamics trajectories
sperezconesa/molecular-design-toolkit
Notebook-integrated tools for molecular simulation and visualization
sperezconesa/null-ls.nvim
Use Neovim as a language server to inject LSP diagnostics, code actions, and more via Lua.
sperezconesa/nvcode
Truly the Ultimate Neovim Config NVCode
sperezconesa/slurm
Slurm: A Highly Scalable Workload Manager
sperezconesa/swenv.nvim
Tiny plugin to quickly switch python virtual environments from within neovim without restarting.