smeerten / ssnake
A program for the analysis of NMR data.
☆21Updated 4 months ago
Related projects ⓘ
Alternatives and complementary repositories for ssnake
- A one-stop-shop for handling data in computational spectroscopy☆14Updated 2 weeks ago
- Teaching Utility for Classical Atomistic Simulation.☆30Updated 3 months ago
- pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.☆44Updated this week
- Agent-based sequential learning software for materials discovery☆60Updated 9 months ago
- A fast solid-state NMR spectrum simulation and analysis library.☆34Updated this week
- Tools related to X-ray absorption spectroscopy (XAS)☆17Updated 4 months ago
- Interactive Python Notebooks for Physical Chemistry☆26Updated last year
- Molecular Simulation with Machine Learning - On-line workshop, July 13-14, 2020☆23Updated 4 years ago
- Python library written in C++ for calculation of local atomic structural environment☆57Updated 2 months ago
- General purpose tools for high-throughput catalysis☆85Updated 4 months ago
- NIST Interatomic Potential Repository property calculation tools☆21Updated 6 months ago
- A Python library for NMR simulation☆21Updated 10 months ago
- A framework for processing adsorption data and isotherm fitting☆64Updated 3 months ago
- A Python library and command line interface for automated free energy calculations☆71Updated 3 weeks ago
- python wrappers for generating training files for the ReaxFF code☆23Updated 10 years ago
- The materials for the Fall ML in Materials course at the UTK MSE☆82Updated 11 months ago
- An interactive structure viewer alongside its simulated diffraction pattern☆16Updated last month
- Examples of using the Atomic Simulation Environment☆29Updated 8 years ago
- A Python package for estimating diffusion properties from molecular dynamics simulations.☆57Updated last week
- A Python library to calculate elastic properties of materials.☆53Updated 2 years ago
- python simulation interface for molecular modeling☆88Updated 2 years ago
- Open source electrochemistry simulator of typical techniques (CV, CA) and GUI.☆23Updated 2 years ago
- Python toolkit for molecular dynamics analysis☆24Updated this week
- Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)☆58Updated 8 months ago
- The Free Energy and Advanced Sampling Simulation Toolkit (FEASST) is a free and open-source software to conduct molecular- and particle-b…☆33Updated this week
- Code for running NEMD simulation on LAMMPS and post-processing the results to compute viscosity☆15Updated 4 years ago
- ☆20Updated 4 years ago
- Code to help you get started using machine learning in materials science☆15Updated 5 years ago
- Thermodynamic Phase Diagram Generator☆52Updated 2 years ago
- Playmol is a(nother) software for building molecular models☆17Updated last year