annamherz

Pinned Repositories

biosimspace
An interoperable Python framework for biomolecular simulation.
Language:Python00
cinnabar
Package for consistent reporting of relative free energy results
Language:Python00
code
various scripts and code
Language:Python11
kcalc
00
BioSimSpace
Code and resources for the EPSRC BioSimSpace project.
Language:Python77 12 31019
BioSimSpaceTutorials
25 6 1410
bssccpbiosim2022
Material for the BioSimSpace workshop at the upcoming 2022 CCPBioSim Training Week
Language:Jupyter Notebook9 6 113
biosimspace
An interoperable Python framework for biomolecular simulation.
Language:Python71 6 13111
cinnabar
Package for consistent reporting of relative free energy results
Language:Python37 10 7112
openmm-ml
High level API for using machine learning models in OpenMM simulations
Language:Python80 14 5125

annamherz's Repositories

annamherz/code
various scripts and code
Language:Python11
annamherz/biosimspace
An interoperable Python framework for biomolecular simulation.
Language:Python00
annamherz/cinnabar
Package for consistent reporting of relative free energy results
Language:Python00
annamherz/kcalc
00