Pinned Repositories
xtb
Semiempirical Extended Tight-Binding Program Package
AutomatedReactionsMetaMD
EasyPyMOL
Script to facilitate the making of horizontal scripts
fan-tools
the simple post-processing code in DFT calculation
pyscf
Python module for quantum chemistry
qianmou2718.github.io
SciCompforChemists
Scientific Computing for Chemists text for teaching basic computing skills to chemistry students using Python, Jupyter notebooks, and the SciPy stack. This text makes use of a variety of packages including NumPy, SciPy, matplotlib, pandas, seaborn, NMRglue, SymPy, scikit-image, and scikit-learn.
whisper-api
workflow-builder
Graphical interface to build a workflow file
qianmou2718's Repositories
qianmou2718/EasyPyMOL
Script to facilitate the making of horizontal scripts
qianmou2718/AutomatedReactionsMetaMD
qianmou2718/fan-tools
the simple post-processing code in DFT calculation
qianmou2718/pyscf
Python module for quantum chemistry
qianmou2718/qianmou2718.github.io
qianmou2718/SciCompforChemists
Scientific Computing for Chemists text for teaching basic computing skills to chemistry students using Python, Jupyter notebooks, and the SciPy stack. This text makes use of a variety of packages including NumPy, SciPy, matplotlib, pandas, seaborn, NMRglue, SymPy, scikit-image, and scikit-learn.
qianmou2718/whisper-api
qianmou2718/workflow-builder
Graphical interface to build a workflow file