Pinned Repositories
dxtb
Efficient And Fully Differentiable Extended Tight-Binding
lnqm
Large scale lanthanoid dataset
xtb
Semiempirical Extended Tight-Binding Program Package
AIMNet2
dxtb
Efficient And Fully Differentiable Extended Tight-Binding
Folder-Structure-Conventions
Folder / directory structure options and naming conventions for software projects
hoelzerC
orca_generator
Facilitate the setup for ORCA calculations
Python_OOP
smi2xyz
Conversion of SMILES to xyz
hoelzerC's Repositories
hoelzerC/orca_generator
Facilitate the setup for ORCA calculations
hoelzerC/Python_OOP
hoelzerC/AIMNet2
hoelzerC/dxtb
Efficient And Fully Differentiable Extended Tight-Binding
hoelzerC/Folder-Structure-Conventions
Folder / directory structure options and naming conventions for software projects
hoelzerC/hoelzerC
hoelzerC/smi2xyz
Conversion of SMILES to xyz
hoelzerC/starter-hugo-academic
🎓 Hugo Academic Theme 创建一个学术网站. Easily create a beautiful academic résumé or educational website using Hugo, GitHub, and Netlify.
hoelzerC/tblite
Light-weight tight-binding framework
hoelzerC/wowchemy-hugo-themes
🔥 Hugo website builder, Hugo themes & Hugo CMS. No code, build with widgets! 创建在线课程，学术简历或初创网站。
hoelzerC/xtb
Semiempirical Extended Tight-Binding Program Package