FlorianRhiem / mogliLinks
simple visualization of molecules in python
☆14Updated 2 years ago
Alternatives and similar repositories for mogli
Users that are interested in mogli are comparing it to the libraries listed below
Sorting:
- gammcor code☆11Updated 4 months ago
- Molecular integrals over Gaussian basis functions using sympy.☆15Updated 8 months ago
- Library version of S. Grimmes DFTD3 code.☆11Updated 3 years ago
- ☆25Updated 5 months ago
- GW100 data repository and post processing tools☆12Updated last year
- The new generation molecular viewer for IPython notebook☆82Updated 5 years ago
- ⚛️ A Python library and a command-line tool that creates input files for computational chemistry packages☆17Updated 5 years ago
- Python bindings to ObjCryst++ Object-Oriented Crystallographic Library☆17Updated 8 months ago
- Modular computation tool chain library☆19Updated 2 weeks ago
- Datasets for open forcefield parameterization and development☆11Updated 5 years ago
- A poor man's density functional theory program☆13Updated 7 months ago
- A step-by-step tutorial to code the McMurchie-Davidson scheme to compute molecular integrals☆10Updated 3 years ago
- Library for local orbital scaling correction (LOSC).☆16Updated 11 months ago
- A modular electronic structure theory code☆21Updated 6 years ago
- Program for simulating time evolution in quantum systems using the MCTDHF method.☆16Updated 7 years ago
- Code generator for simint vectorized integrals☆28Updated 2 years ago
- Algorithms for fast alignment of structures in finite and periodic systems.☆12Updated 2 years ago
- A package for plotting and manipulating 1D spectra☆11Updated 10 months ago
- libdlfind is a C-API and Python interface to the DL-FIND geometry optimization library☆17Updated last year
- TAMkin is a post-processing toolkit for thermochemistry and kinetics analysis.☆23Updated last year
- Library for Green’s function based electronic structure theory calculations☆24Updated last month
- Arbitrary order exchange-correlation functional derivatives using JAX.☆22Updated 4 years ago
- Quantum Chemistry Laboratory package☆20Updated 3 years ago
- A Basic Symmetry Module (Python)☆17Updated 2 months ago
- An API for the Polarizable Continuum Model☆33Updated 2 years ago
- kinetic isotope effect prediction with Gaussian☆16Updated 2 years ago
- Finite element methods for electronic structure calculations on small systems☆39Updated this week
- Plane-Wave density-functional theory (DFT) development for NWChemEx electronic structure software☆15Updated 2 weeks ago
- Kohn-Sham Python-based inversion Evaluation Software☆13Updated 3 years ago
- Library for chemical kinetics in homogeneous or isotropically symmetric inhomogenous systems.☆14Updated 2 years ago