Pinned Repositories
tad-dftd3
PyTorch Autodiff DFT-D3 Implementation.
cpp-d4
C++ port of DFT-D4
tad-dftd4
PyTorch Autodiff DFT-D4 Implementation.
dxtb
Efficient And Fully Differentiable Extended Tight-Binding
3dplots
glueck-auf-ruegen
Webseite für "Glück auf Rügen" - Ferienwohnungen im Ostseebad Sellin
mstore
Molecular structure store for testing
tbmalt
Tight Binding Machine Learning Toolkit
template-python-project
Template for a Python project.
tblite
Light-weight tight-binding framework
marvinfriede's Repositories
marvinfriede/glueck-auf-ruegen
Webseite für "Glück auf Rügen" - Ferienwohnungen im Ostseebad Sellin
marvinfriede/template-python-project
Template for a Python project.
marvinfriede/3dplots
marvinfriede/mstore
Molecular structure store for testing
marvinfriede/tbmalt
Tight Binding Machine Learning Toolkit
marvinfriede/citations
BibTeX Citations for frequently used Theoretical Chemistry Papers.
marvinfriede/cpp-d4
C++ port of DFT-D4
marvinfriede/dftd4
Generally Applicable Atomic-Charge Dependent London Dispersion Correction
marvinfriede/github-readme-stats
:zap: Dynamically generated stats for your github readmes
marvinfriede/hartree-fock
Simple Hartree-Fock program.
marvinfriede/dqc
Differentiable Quantum Chemistry (only Differentiable Density Functional Theory and Hartree Fock at the moment)
marvinfriede/marvinfriede
README.md for public profile.
marvinfriede/molecular-dynamics
Molecular Dynamics Program with Velocity Verlet Algorithm
marvinfriede/multicharge
Electronegativity equilibration model for atomic partial charges
marvinfriede/paper
Collection of Supporting Information for my Publications
marvinfriede/projects
collection of my programming projects
marvinfriede/qc-tools
Some helpful scripts for ORCA and Q-CHEM.
marvinfriede/qchem_tools
A collection of scrips and little programs to make working with Q-Chem more convenient
marvinfriede/staged-recipes
A place to submit conda recipes before they become fully fledged conda-forge feedstocks
marvinfriede/tblite
Light-weight tight-binding framework
marvinfriede/youtube-to-mp3-converter
Simple implementation of a YouTube-to-MP3 converter using PyTube.