advancesoftcorp / lammps
Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.
☆40Updated 4 months ago
Related projects ⓘ
Alternatives and complementary repositories for lammps
- ☆62Updated last year
- updated constant potential plugin for LAMMPS☆36Updated last year
- SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)☆47Updated 2 years ago
- Active Learning for Machine Learning Potentials☆45Updated 5 months ago
- ☆39Updated 6 years ago
- ☆48Updated 3 years ago
- Python package to analyse the structural dynamics of perovskites☆33Updated 3 weeks ago
- Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemis…☆78Updated this week
- A lightweight python package for reading and writing VASP ML_AB files☆32Updated 9 months ago
- ☆43Updated 2 weeks ago
- ☆26Updated 2 years ago
- Advanced ASE Transition State Tools for ABACUS and Deep-Potential☆18Updated 2 weeks ago
- A... M... L...☆47Updated 2 years ago
- Machine-Learning-Based Interatomic Potentials for Catalysis: an Universal Catalytic Large Atomic Model☆26Updated this week
- Dealing with slabs for first principles calculations of surfaces☆54Updated last year
- Defect analysis modules for pymatgen☆41Updated this week
- Heat capacity predictor for porous materials☆13Updated 4 months ago
- scripts to load all data from ICSD, Materials Project, and OQMD☆50Updated 2 years ago
- A python library for calculating materials properties from the PES☆66Updated this week
- ☆40Updated 2 months ago
- An algorithm to match crystal structures atom-to-atom☆51Updated last year
- high dimensional neural network potential☆19Updated last year
- Visualize vibrational modes from VASP calculations☆37Updated 2 years ago
- Defect structure-searching employing chemically-guided bond distortions☆81Updated this week
- Automated creation and manipulation of Chemical Reaction Networks (CRNs) in heterogeneous catalysis, allowing the fast estimation of the …☆23Updated last month
- Pynta - an automated workflow for reaction path exploration on metallic surfaces☆33Updated last week
- Statistical Mechanics on Lattices☆65Updated this week
- Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"☆27Updated 11 months ago
- BAMBOO (Bytedance AI Molecular BOOster) is an AI-driven machine learning force field designed for precise and efficient electrolyte simu…☆30Updated 4 months ago
- Strategies for the Construction of Neural-Network Based Machine-Learning Potentials (MLPs)☆28Updated 3 years ago