orbeckst
Follow
-
alchemlyb-feedstock Public
Forked from conda-forge/alchemlyb-feedstockA conda-smithy repository for alchemlyb.
BSD 3-Clause "New" or "Revised" License UpdatedDec 17, 2024 -
numkit-feedstock Public
Forked from conda-forge/numkit-feedstockA conda-smithy repository for numkit.
BSD 3-Clause "New" or "Revised" License UpdatedDec 17, 2024 -
gromacswrapper-feedstock Public
Forked from conda-forge/gromacswrapper-feedstockA conda-smithy repository for gromacswrapper.
BSD 3-Clause "New" or "Revised" License UpdatedDec 17, 2024 -
waterdynamics-feedstock Public
Forked from conda-forge/waterdynamics-feedstockA conda-smithy repository for waterdynamics.
BSD 3-Clause "New" or "Revised" License UpdatedDec 17, 2024 -
basicrta Public
Forked from Becksteinlab/basicrtaBayesian nonparametric inference of ligand binding kinetics from molecular dynamics simulations.
Python GNU General Public License v3.0 UpdatedDec 16, 2024 -
mdanalysis Public
Forked from MDAnalysis/mdanalysisMDAnalysis is a Python library to analyze molecular dynamics simulations.
Python Other UpdatedJul 17, 2024 -
-
solvation_analysis-feedstock Public
Forked from conda-forge/solvation_analysis-feedstockA conda-smithy repository for solvation_analysis.
BSD 3-Clause "New" or "Revised" License UpdatedSep 18, 2023 -
mdanalysistests-feedstock Public
Forked from conda-forge/mdanalysistests-feedstockA conda-smithy repository for mdanalysistests.
BSD 3-Clause "New" or "Revised" License UpdatedJul 5, 2022 -
GitHub-Classroom-Introductory-Assignment Public template
Forked from markpatterson27/GitHub-Classroom-Introductory-AssignmentStarter lesson for assessing GitHub Classroom use.
Shell MIT License UpdatedFeb 25, 2022 -
MDAnalysis.github.io Public
Forked from MDAnalysis/MDAnalysis.github.ioMDAnalysis home page mdanalysis.org as GitHub pages.
-
CpHMD-Analysis Public
Forked from Hendejac/CpHMD-AnalysisJack Henderson's CHARMM CpHMD analysis scripts
Jupyter Notebook GNU General Public License v3.0 UpdatedOct 22, 2021 -
docsearch-configs Public
Forked from algolia/docsearch-configsDocSearch - Configurations
Shell MIT License UpdatedOct 20, 2021 -
docsearch-scraper Public
Forked from algolia/docsearch-scraperDocSearch - Scraper
Python Other UpdatedOct 14, 2021 -
bioconda-recipes Public
Forked from bioconda/bioconda-recipesConda recipes for the bioconda channel.
Shell UpdatedSep 9, 2021 -
-
-
gsoc Public
Forked from numfocus/gsocNumFOCUS Google Summer of Code Materials
TeX UpdatedFeb 7, 2021 -
Simple-SQL-Exercise Public template
Forked from markpatterson27/Simple-SQL-ExerciseExercise for testing SQL testing and GitHub actions.
UpdatedJan 28, 2021 -
-
gridcount Public
DEPRECATED and UNSUPPORTED. gridcount is an analysis tool for Gromacs that creates 3D (number) densities from molecular dynamics trajectories. Typically, this is used to look at the density of wate…
-
g_count Public
g_count and g_flux are simple Gromacs tools that are primarily useful to characterize movement of water inside a cylindrical region. This can be the pore of an ion channel or a carbon nanotube. g_c…
-
gsod Public
Forked from numfocus/gsodNumFOCUS participation information for Google Season Of Docs
UpdatedApr 19, 2019 -
MDAnalysisSandbox Public
Forked from MDAnalysis/MDAnalysisSandboxuser contributed analysis modules
Python GNU Lesser General Public License v3.0 UpdatedNov 13, 2018 -
-
-
duecredit Public
Forked from duecredit/duecreditAutomated collection and reporting of citations for used software/methods/datasets
Python Other UpdatedMar 18, 2018 -
AdK_analysis Public
Old Python scripts and libraries to analyze the simulations in Beckstein et al, J Mol Biol 394 (2009), 160.
-
RecSQL Public
RecSQL is a hack that allows one to load table-like data records into an in-memory sqlite database for quick and dirty analysis via SQL. The SQLarray class has additional SQL functions such as sqrt…
-