nixeimar / ApothesisLinks
Apothesis: A kinetic Monte Carlo software for deposition processes
☆22Updated 5 months ago
Alternatives and similar repositories for Apothesis
Users that are interested in Apothesis are comparing it to the libraries listed below
Sorting:
- Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, …☆235Updated this week
- Simple Molecular Dynamics code for Discovery-Driven approach to real gas properties.☆24Updated 3 years ago
- Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modelin…☆594Updated this week
- Modern and fast molecular analysis and modeling library for C++ and Python☆35Updated 9 months ago
- An Extended Periodic Table of Neutral and Charged Atomic Species☆41Updated 3 months ago
- Library for reading and writing chemistry files☆189Updated 2 weeks ago
- Python library for selecting diverse data subsets for machine-learning. Webserver: https://huggingface.co/spaces/QCDevs/Selector.☆34Updated last week
- GOMC - GPU Optimized Monte Carlo is a parallel molecular simulation code designed for high-performance simulation of large systems☆85Updated 2 months ago
- python simulation interface for molecular modeling☆103Updated 3 years ago
- Computational Crystallography Toolbox☆276Updated last week
- A collection of interpretive chemical tools for analyzing outputs of the quantum chemistry calculations.☆53Updated last year
- Domain specific library for electronic structure calculations☆161Updated this week
- A distributed compute and database platform for quantum chemistry.☆159Updated this week
- scalable molecular simulation☆140Updated 3 months ago
- A Framework for Metropolis Monte Carlo Simulation of Molecular Systems☆72Updated last week
- The Massively Parallel Quantum Chemistry program, MPQC, computes properties of atoms and molecules from first principles using the time i…☆78Updated 2 years ago
- NMRforMD is a python script for the calculation of NMR relaxation time T1 and T2 from molecular dynamics trajectory file.☆25Updated 9 months ago
- Periodic table, physical constants, and molecule parsing for quantum chemistry.☆180Updated last week
- Python library for reading, writing, and converting computational chemistry file formats and generating input files.☆158Updated last week
- A lightweight, object-oriented C++ library that contains a general framework for creating custom kinetic Monte Carlo simulation software …☆24Updated 5 years ago
- Materials Learning Algorithms. A framework for machine learning materials properties from first-principles data.☆98Updated last month
- The main repository of Open Quantum Platform (OpenQP) maintained by Choi Group at KNU.☆47Updated 3 weeks ago
- The IUCr CIF core dictionary☆22Updated last week
- Library of exchange-correlation functionals for density-functional theory. Please note that this is a mirror of https://gitlab.com/libxc/…☆55Updated 3 years ago
- A curated list of awesome Molecular Dynamics libraries, tools and software.☆125Updated 4 years ago
- A plugin to use Nvidia GPU in PySCF package☆266Updated last week
- Molecular dynamics and Monte Carlo soft matter simulation on GPUs.☆415Updated 2 weeks ago
- Multi-language library for the calculation of spherical harmonics in Cartesian coordinates☆93Updated last week
- The Input Generator for Forgetful Chemists 🤓☆13Updated 6 months ago
- IQmol is an open source molecular editor and visualization package☆108Updated 3 years ago