PytLab / GASolLinks
A general Genetic Algorithm Solver in C++
☆21Updated 7 years ago
Alternatives and similar repositories for GASol
Users that are interested in GASol are comparing it to the libraries listed below
Sorting:
- CHE 599 at Oregon State University☆21Updated 4 years ago
- QM/MM interfacing in Python☆10Updated 6 years ago
- A dissipative particle dynamics (DPD) project.☆11Updated 2 years ago
- Globally Managed Parallel Optimization☆12Updated 2 years ago
- quantum chemistry common driver and databases☆17Updated 2 years ago
- Python library for optimizing molecular structures and determining chemical reaction pathways.☆17Updated last year
- A Python package to compute similarities between molecules and structures☆32Updated 5 years ago
- Hückel model + JAX☆13Updated 3 years ago
- A simple Lennard-Jones molecular dynamics software☆28Updated last year
- A library for analyzing potential energy surfaces (PESs) and using the resulting PES descriptors for constructing forcefield parameters.☆11Updated last year
- python simulation interface for molecular modeling. To cite this software publication: https://www.sciencedirect.com/science/article/pii/…☆13Updated 9 years ago
- ☆12Updated 6 years ago
- Chemical kinetics with tensorflow. Use tensorflow deep learning platform to numerically calculate chemical rate equations for chemical ki…☆14Updated 4 years ago
- Python tools for quantum chemical calculations☆20Updated last year
- Modern and fast molecular analysis and modeling library for C++ and Python☆35Updated 5 months ago
- kinetic isotope effect prediction with Gaussian☆16Updated 2 years ago
- Graph Inference on MoLEcular Topology☆26Updated 2 years ago
- C++ Library for Electrostatics☆19Updated 3 weeks ago
- A library for using machine-learned exchange-correlation functionals for density-functional theory☆20Updated 4 years ago
- Shaded 😎 quantile plots☆12Updated 3 years ago
- ☆14Updated last week
- Python API for NIST Chemistry WebBook☆46Updated 2 months ago
- MaPhi is a program written in python for Linux, which compute descriptors for a set of molecules for chemoinformatics studies.☆14Updated 2 years ago
- Implementation of a machine learned density functional☆35Updated last year
- Spherical harmonic shape descriptors, promolecule densities, isosurfaces and Hirshfeld surfaces in python☆24Updated this week
- Non-covalent index plots in molecular systems.☆20Updated 8 years ago
- Main ESPResSo++ repository☆45Updated 2 weeks ago
- Learning free energy landscapes using artificial neural networks☆14Updated 7 years ago
- A Framework for Metropolis Monte Carlo Simulation of Molecular Systems☆72Updated 3 weeks ago
- ☆13Updated last month