CederGroupHub / smolLinks
Statistical Mechanics on Lattices
☆82Updated last week
Alternatives and similar repositories for smol
Users that are interested in smol are comparing it to the libraries listed below
Sorting:
- A Python library and command line interface for automated free energy calculations☆82Updated 3 weeks ago
- A python library for calculating materials properties from the PES☆112Updated last week
- ☆67Updated 2 years ago
- Defect structure-searching employing chemically-guided bond distortions☆99Updated last month
- Code for automated fitting of machine learned interatomic potentials.☆110Updated this week
- Defect analysis modules for pymatgen☆54Updated last week
- Machine Learning Interatomic Potential Predictions☆91Updated last year
- ☆90Updated 9 months ago
- A command line tool written in Python/C++ for finding optimized SQS structures☆50Updated this week
- Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemis…☆100Updated 3 weeks ago
- Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)☆64Updated last year
- Python package to analyse the structural dynamics of perovskites☆44Updated 8 months ago
- Derivative structure enumeration library☆77Updated 9 months ago
- Dealing with slabs for first principles calculations of surfaces☆64Updated last year
- LAMMPS interface for phonon calculations using phonopy☆87Updated 11 months ago
- Grand canonical optimization of grain boundary phases.☆26Updated 3 months ago
- Automatic generation of crystal structure descriptions.☆124Updated last week
- An algorithm to match crystal structures atom-to-atom☆53Updated 2 years ago
- Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.☆55Updated last month
- Band structure unfolding made easy!☆53Updated this week
- GRACE models and gracemaker (as implemented in TensorPotential package)☆66Updated 2 months ago
- A lightweight python package for reading and writing VASP ML_AB files☆39Updated 6 months ago
- SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)☆49Updated 3 years ago
- Quick Uncertainty and Entropy via STructural Similarity☆47Updated 2 months ago
- Generating Deep Potential with Python☆68Updated 2 weeks ago
- The Temperature Dependent Effective Potentials (TDEP) code☆87Updated 2 weeks ago
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆42Updated 7 months ago
- ☆43Updated 4 months ago
- ☆48Updated 10 months ago
- Deep Modeling for Molecular Simulation 2023, four-day in-person workshop, July 11-14, 2023☆20Updated 2 years ago