gVallverdu / cookbookLinks
Miscellaneous IPython notebooks about chemical physics and science teaching.
☆13Updated 6 months ago
Alternatives and similar repositories for cookbook
Users that are interested in cookbook are comparing it to the libraries listed below
Sorting:
- Making life easier using scripting languages (Bash and Python) to facilitate multiple VASP simulation jobs preparation, submission and an…☆13Updated 10 years ago
- Analysis of Molecular Dynamics output in the IPython Notebook☆10Updated 8 years ago
- Thermodynamic Phase Diagram Generator☆55Updated 3 years ago
- Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook☆33Updated this week
- Course repository for 06-623☆13Updated 5 years ago
- pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.☆46Updated last week
- kMC on steroids: A vigorous attempt to make lattice kinetic Monte Carlo modelling easier☆57Updated 7 years ago
- Playmol is a(nother) software for building molecular models☆19Updated 2 years ago
- High-Throughput Computational Physics Framework☆13Updated 7 years ago
- Resources for teaching quantum chemistry courses in Bonn☆41Updated last month
- python wrappers for generating training files for the ReaxFF code☆24Updated 11 years ago
- Python program for aggregation and reaction☆22Updated 10 months ago
- Scripts to calculate elastic properties from a set of strained structures☆19Updated last year
- An interactive structure viewer alongside its simulated diffraction pattern☆18Updated 3 weeks ago
- Molecular Simulation with Machine Learning - On-line workshop, July 13-14, 2020☆22Updated 5 years ago
- Tools related to X-ray absorption spectroscopy (XAS)☆19Updated last year
- Calculates 3d structure factor and simulated x-ray diffraction pattern from molecular dynamics trajectories☆17Updated 5 years ago
- A simple Lennard-Jones molecular dynamics software☆29Updated last year
- Data files which may be used to test examples accompanying the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. T…☆15Updated 7 years ago
- Coarse-graining library that implements Force-matching☆11Updated 5 years ago
- A set of tutorials to introduce new users to mBuild☆11Updated 4 years ago
- Python Multiscale Thermochemistry Toolbox (pMuTT)☆47Updated last month
- Course materials for NANO 106 - Crystallography of Materials☆35Updated 3 years ago
- A set of tutorials to introduce new users to the MoSDeF (Molecular Simulation Design Framework) toolkit☆26Updated last year
- ☆45Updated 5 years ago
- Scanning probe microscopy simulation tools based on CP2K☆14Updated this week
- materials.sh☆10Updated 5 years ago
- A framework for conducting polymer reference interaction site model (PRISM) calculations☆42Updated 4 years ago
- Learning Molecular Dynamics with LAMMPS☆15Updated last year
- Python code for learning Molecular Dynamics simulations☆53Updated 4 years ago