arm61 / pyljLinks
Teaching Utility for Classical Atomistic Simulation.
☆31Updated last year
Alternatives and similar repositories for pylj
Users that are interested in pylj are comparing it to the libraries listed below
Sorting:
- A framework for processing adsorption data and isotherm fitting☆84Updated 11 months ago
- ☆44Updated 2 months ago
- Ideal Adsorbed Solution Theory☆61Updated 4 years ago
- Interactive Python Notebooks for Physical Chemistry☆31Updated 2 years ago
- Resources for teaching quantum chemistry courses in Bonn☆42Updated 6 months ago
- Agent-based sequential learning software for materials discovery☆62Updated 2 years ago
- ase interface for Quantum Espresso☆22Updated 4 years ago
- ASE density-functional tight-binding calculator☆68Updated last year
- pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.☆47Updated this week
- Fitting thermodynamic models with pycalphad - https://doi.org/10.1557/mrc.2019.59☆79Updated last month
- Thermodynamic Phase Diagram Generator☆57Updated 3 years ago
- ARC - Automatic Rate Calculator☆48Updated last week
- Python Multiscale Thermochemistry Toolbox (pMuTT)☆47Updated 6 months ago
- A framework for conducting polymer reference interaction site model (PRISM) calculations☆45Updated 3 weeks ago
- Playmol is a(nother) software for building molecular models☆19Updated 2 years ago
- Molecular Simulation with Machine Learning - On-line workshop, July 13-14, 2020☆22Updated 5 years ago
- A Python library for solution chemistry☆73Updated this week
- A Benchmark Implementation of COSMO-SAC☆75Updated 7 months ago
- Nested Sampling code☆34Updated 8 months ago
- Pizza.py is a loosely integrated collection of tools written in Python, many of which provide pre- and post-processing capability for th…☆70Updated 4 years ago
- Python library written in C++ for calculation of local atomic structural environment☆69Updated last year
- An interactive structure viewer alongside its simulated diffraction pattern☆19Updated 3 weeks ago
- Materials science with Python at the atomic-scale☆229Updated last week
- An python script implementation to solve classical Density Functional Theory for Lennard-Jones fluids on 1D and 3D geometries☆24Updated last year
- New version of dft-book for Quantum Espresso☆47Updated 5 years ago
- Atomistic Manipulation Toolkit☆36Updated 5 months ago
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆72Updated 8 months ago
- ☆41Updated last year
- LigParGen python package version 2.3 (beta)☆13Updated 9 months ago
- The Pitzer model for chemical activities and equilibria in aqueous solutions in Python☆17Updated last week