SPARC-X / SPARC-X-APILinks
☆12Updated 2 months ago
Alternatives and similar repositories for SPARC-X-API
Users that are interested in SPARC-X-API are comparing it to the libraries listed below
Sorting:
- ☆90Updated 9 months ago
- SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)☆48Updated 3 years ago
- The Temperature Dependent Effective Potentials (TDEP) code☆87Updated 3 weeks ago
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆42Updated 8 months ago
- Python package to analyse the structural dynamics of perovskites☆44Updated last week
- ☆89Updated last month
- A... M... L...☆50Updated 3 years ago
- Code for automated fitting of machine learned interatomic potentials.☆110Updated last week
- A many-body extension of the FLARE code.☆36Updated 3 years ago
- A Python software package for saddle point optimization and minimization of atomic systems.☆111Updated 10 months ago
- GRACE models and gracemaker (as implemented in TensorPotential package)☆66Updated this week
- Quick Uncertainty and Entropy via STructural Similarity☆47Updated 2 months ago
- A Python library and command line interface for automated free energy calculations☆82Updated last month
- ☆29Updated 7 months ago
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆53Updated 7 years ago
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆66Updated last month
- Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).☆26Updated 2 years ago
- A python library for calculating materials properties from the PES☆112Updated this week
- LAMMPS interface for phonon calculations using phonopy☆87Updated last year
- OVITO Python modifier to compute the Warren-Cowley parameters.☆31Updated 4 months ago
- Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening☆13Updated 9 years ago
- updated constant potential plugin for LAMMPS☆39Updated 2 years ago
- A lightweight python package for reading and writing VASP ML_AB files☆39Updated 6 months ago
- Pynta - an automated workflow for reaction path exploration on metallic surfaces☆40Updated 2 weeks ago
- Statistical Mechanics on Lattices☆82Updated this week
- Application of Large Language Models (LLM) for computational materials science - visit jan-janssen.com/LangSim☆67Updated last month
- Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)☆64Updated last year
- Simulation Package for Ab-initio Real-space Calculations☆87Updated last month
- Derivative structure enumeration library☆77Updated 9 months ago
- On-the-fly calculation of Transport Properties☆26Updated 2 years ago