sroet
IT Developer - Department of Chemistry, Utrecht University
Utrecht UniversityUtrecht, Netherlands
Pinned Repositories
contact_map
Contact map analysis for biomolecules; based on MDTraj
openpathsampling
An open source Python framework for transition interface and path sampling calculations.
AoC2021_python
My python solutions for advent of code 2021
AoC2022_python
Advent of Code 2022 python solutions
AoC2023_python
This is where I will put my python solutions for Advent of Code 2023
chemometrics
Binder repo for chemometrics exercises
committor_bootstrap
conda-forge-repodata-patches-feedstock
A conda-smithy repository for conda-forge-repodata-patches.
contact_map
Elma
sroet's Repositories
sroet/AoC2021_python
My python solutions for advent of code 2021
sroet/AoC2022_python
Advent of Code 2022 python solutions
sroet/AoC2023_python
This is where I will put my python solutions for Advent of Code 2023
sroet/conda-forge-repodata-patches-feedstock
A conda-smithy repository for conda-forge-repodata-patches.
sroet/contact_map
sroet/Elma
sroet/docker.github.io
Source repo for Docker's Documentation
sroet/fibsem
Python API for advanced FIBSEM control
sroet/fortran-code-quality
A simple script that parses Fortran files and gives feedback on a few metrics relating to code quality
sroet/GitPython
GitPython is a python library used to interact with Git repositories.
sroet/gromacs
Public/backup repository of the GROMACS molecular simulation toolkit. Please do not mine the metadata blindly; we use https://gitlab.com/gromacs/gromacs for code review and issue tracking.
sroet/healpix
Python and C package for HEALPix discretisation of the sphere
sroet/infretis
sroet/mdanalysis
MDAnalysis is a Python library to analyze molecular dynamics simulations.
sroet/mdtraj
A modern, open library for the analysis of molecular dynamics trajectories
sroet/mdtraj-feedstock
A conda-smithy repository for mdtraj.
sroet/mini-tutorials
Small, topic-focused tutorials for OpenPathSampling
sroet/mrcfile
A Python implementation of the MRC2014 file format
sroet/openmm
OpenMM is a toolkit for molecular simulation using high performance GPU code.
sroet/openmm-org
Content of https://openmm.org
sroet/openmmtools
A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.
sroet/openpathsampling
An open source Python framework for transition interface and path sampling calculations.
sroet/openpathsampling-cli
Command line tools for OpenPathSampling
sroet/ops_tutorial
Introductory tutorial on TPS, committor analysis, and (MS)TIS with OpenPathSampling
sroet/PyEMMA
🚂 Python API for Emma's Markov Model Algorithms 🚂
sroet/PyTom
PyTom software for cryo-tomogram processing
sroet/pytom-template-matching-gpu
Only GPU template matching from the PyTOM toolbox
sroet/PyTomPrivate
Development repository
sroet/SBC-scripts
This repository keeps tracks of the internal scripts of the SBC group.
sroet/sh
Python process launching