mir-group / flare_ppLinks
A many-body extension of the FLARE code.
☆36Updated 3 years ago
Alternatives and similar repositories for flare_pp
Users that are interested in flare_pp are comparing it to the libraries listed below
Sorting:
- A scalable and versatile library to generate representations for atomic-scale learning☆82Updated last year
- ☆93Updated 9 months ago
- Tight Binding Machine Learning Toolkit☆44Updated 2 weeks ago
- Deprecated - see `pair_nequip_allegro`☆44Updated 4 months ago
- Symmetry-Adapted Learning of Three-dimensional Electron Densities (and their electrostatic response)☆40Updated 3 months ago
- A Python software package for saddle point optimization and minimization of atomic systems.☆115Updated 11 months ago
- Pynta - an automated workflow for reaction path exploration on metallic surfaces☆40Updated last month
- Quick Uncertainty and Entropy via STructural Similarity☆47Updated 2 months ago
- Computing representations for atomistic machine learning☆73Updated last week
- SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)☆48Updated 3 years ago
- ☆30Updated 8 months ago
- A Python library and command line interface for automated free energy calculations☆82Updated last month
- Particle-mesh based calculations of long-range interactions in PyTorch☆60Updated 3 weeks ago
- Atomic interaction potentials based on artificial neural networks☆119Updated 3 weeks ago
- ☆90Updated last week
- Statistical Mechanics on Lattices☆84Updated this week
- ☆43Updated 4 months ago
- python workflow toolkit☆43Updated last week
- Python library written in C++ for calculation of local atomic structural environment☆67Updated last year
- JAX-ReaxFF: A Gradient Based Framework for Extremely Fast Optimization of Reactive Force Fields☆66Updated 11 months ago
- A... M... L...☆50Updated 3 years ago
- Code for automated fitting of machine learned interatomic potentials.☆118Updated last week
- A framework for performing active learning for training machine-learned interatomic potentials.☆37Updated last week
- ☆68Updated 2 years ago
- A python library for calculating materials properties from the PES☆117Updated last week
- Active Learning for Machine Learning Potentials☆56Updated last month
- GRACE models and gracemaker (as implemented in TensorPotential package)☆73Updated this week
- Collection of tutorials to use the MACE machine learning force field.☆48Updated last year
- Python-based plane wave density functional theory code for educational purposes☆31Updated 6 months ago
- UF3: a python library for generating ultra-fast interatomic potentials☆68Updated 3 months ago