jhrmnn / monaLinks
Calculation framework
☆13Updated 3 weeks ago
Alternatives and similar repositories for mona
Users that are interested in mona are comparing it to the libraries listed below
Sorting:
- This plugin enables VMD to display data stored in h5 files that are structured according to the H5MD specifications (http://nongnu.org/h5…☆11Updated 6 years ago
- Algorithms for fast alignment of structures in finite and periodic systems.☆14Updated 3 years ago
- A crystal structure finder written in PyQt5 and Python3☆15Updated 3 weeks ago
- MAterials Simulation Toolkit for use with pymatgen☆17Updated last year
- Quantum Monte Carlo Kernel Library☆39Updated this week
- Routines for Radial Integration of Dirac, Schrödinger, and Poisson Equations☆84Updated last year
- Quantum Chemistry Laboratory package☆20Updated 3 years ago
- Visualization and editing of periodic molecular structure files.☆27Updated 3 weeks ago
- Fortran and Python library to predict material interface structures☆21Updated 3 months ago
- ☆19Updated 3 years ago
- Python framework for generating and validating pseudo potentials☆51Updated 2 years ago
- The Free Energy and Advanced Sampling Simulation Toolkit (FEASST) is a free and open-source software to conduct molecular- and particle-b…☆44Updated 2 weeks ago
- Soprano - a Python library to crack crystals!☆12Updated 2 months ago
- This is obsolete. Use this:☆21Updated 9 years ago
- Aquarius is a parallel quantum chemistry package built on the Cyclops Tensor Framework which provides high-performance structured tensor …☆28Updated last year
- Databases and Interoperability in Quantum Chemistry☆13Updated 7 years ago
- GW100 data repository and post processing tools☆14Updated last month
- Materials informatics framework for ab initio data repositories☆18Updated 3 years ago
- Jupyter Kernel for Mathics☆20Updated 9 years ago
- The official OpenMolcas repository is at https://gitlab.com/Molcas/OpenMolcas, this is only a mirror. OpenMolcas is a quantum chemistry s…☆69Updated 2 weeks ago
- MolSSI Integral Reference Project☆29Updated 4 years ago
- The exciting code is a powerful open-source DFT package targeted to scientific developers and users that need a modern and adaptable plat…☆68Updated last week
- Qball (also known as qb@ll) is a first-principles molecular dynamics code that is used to compute the electronic structure of atoms, mole…☆45Updated last year
- Wave-function analysis tool library☆28Updated last year
- The Massively Parallel Quantum Chemistry program, MPQC, computes properties of atoms and molecules from first principles using the time i…☆78Updated 2 years ago
- This repository implements supplementary useful functions for Python that are not part of the standard library. Examples include useful u…☆83Updated last week
- funsies is a lightweight workflow engine 🔧☆41Updated 4 years ago
- Make periodic table map plots and pettifor-style trend plots.☆28Updated 7 years ago
- simple visualization of molecules in python☆13Updated 2 years ago
- Atomistic Manipulation Toolkit☆36Updated 5 months ago