Pinned Repositories
espresso
The ESPResSo package
datamodel_b02_tc
Preliminary data model for CRC 1333 project B02.
FAIRFlowChemistry
PeakFitting
Tools for evaluating chromatograms.
datamodel_b06
Preliminary data model for CRC 1333 project B06.
DEXPI2sdRDM
Tool to convert DEXPI-P&ID-Flowsheets into the sdRDM framework
mdanalysis
MDAnalysis is a Python library to analyze molecular dynamics simulations.
monitor_VASP_convergence
Plots the evolution of forces and energy from VASP's OUTCAR file. Useful for analyzing optimization progression between or during job submissions.
PeakFitting
Tools for evaluating spectra and chromatograms.
software-driven-rdm
🚀 - Generate powerful Python code from verbose markdown documents
sH4MbLe5's Repositories
sH4MbLe5/datamodel_b06
Preliminary data model for CRC 1333 project B06.
sH4MbLe5/DEXPI2sdRDM
Tool to convert DEXPI-P&ID-Flowsheets into the sdRDM framework
sH4MbLe5/mdanalysis
MDAnalysis is a Python library to analyze molecular dynamics simulations.
sH4MbLe5/monitor_VASP_convergence
Plots the evolution of forces and energy from VASP's OUTCAR file. Useful for analyzing optimization progression between or during job submissions.
sH4MbLe5/PeakFitting
Tools for evaluating spectra and chromatograms.
sH4MbLe5/software-driven-rdm
🚀 - Generate powerful Python code from verbose markdown documents