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:
- Molecular integrals over Gaussian basis functions using sympy.☆16Updated last year
- plug-n-play black box optimizer for high-throughput computing☆51Updated 2 years ago
- Julia Bindings for Atomic Simulation Environment☆38Updated 5 years ago
- Arbitrary order exchange-correlation functional derivatives using JAX.☆22Updated 5 years ago
- Ground-state solver for a generalized Ising model, based on MAXSAT and convex optimization, following the algorithm described in Huang et…☆15Updated 9 years ago
- Python bindings to ObjCryst++ Object-Oriented Crystallographic Library☆17Updated 2 months ago
- Finite element methods for electronic structure calculations on small systems☆42Updated 3 months ago
- An open source toolkit for simulating RIXS spectra based on ED☆37Updated 2 months ago
- A fully autodifferentiable and variational HF☆43Updated 5 years ago
- Julia implementation of various electron-correlation methods (main focus on coupled cluster methods).☆22Updated 6 months ago
- A class to calculate different types of natural orbitals based on the output of electronic structure code.☆16Updated 7 years ago
- Electronic structure calculations using Julia☆14Updated 4 years ago
- A research-grade quantum chemistry program written in Julia☆66Updated 4 years ago
- Materials used in a school on QMC methods☆26Updated 6 years ago
- Perform analytical continuation using Pade approximants.☆17Updated 8 years ago
- Tensor Framework for Cyclic Symmetry☆17Updated 3 years ago
- Code generator for simint vectorized integrals☆29Updated 2 years ago
- Quantum-chemistry methods in Julia. Based on Rick Muller's PyQuante2☆21Updated 4 years ago
- ☆19Updated 3 years ago
- Arbitrary-order derivatives of popular electronic structure methods, such as Hartree-Fock and coupled cluster theory.☆70Updated last year
- Library for Green’s function based electronic structure theory calculations☆28Updated 2 months ago
- DCA++☆39Updated last week
- Python energy landscape explorer☆100Updated 2 months ago
- ☆15Updated last month
- Hartree Fock solver☆26Updated 7 years ago
- Material of the seminar "Julia for Materials Modelling"☆30Updated 2 years ago
- ☆11Updated last year
- The new generation molecular viewer for IPython notebook☆82Updated 5 years ago
- Pseudopotential Studio☆21Updated 4 years ago
- Fast, hackable molecular integrals☆13Updated last week