MDIL-SNU / SevenNet
SevenNet - a graph neural network interatomic potential package supporting efficient multi-GPU parallel molecular dynamics simulations.
☆144Updated last week
Alternatives and similar repositories for SevenNet:
Users that are interested in SevenNet are comparing it to the libraries listed below
- LAMMPS pair style for Allegro deep learning interatomic potentials with parallelization support☆40Updated 2 months ago
- MACE-MP models☆64Updated this week
- ☆56Updated this week
- Defect structure-searching employing chemically-guided bond distortions☆86Updated this week
- ☆41Updated last year
- A collection of Nerual Network Models for chemistry☆108Updated this week
- An evaluation framework for machine learning models simulating high-throughput materials discovery.☆122Updated this week
- Python library for the construction of porous materials using topology and building blocks.☆59Updated 3 weeks ago
- Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov☆267Updated this week
- A Python library and command line interface for automated free energy calculations☆74Updated last month
- ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.☆145Updated 6 months ago
- A Python software package for saddle point optimization and minimization of atomic systems.☆84Updated 3 months ago
- doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…☆155Updated this week
- Machine Learning Interatomic Potential Predictions☆87Updated 11 months ago
- This add-on to pymatgen provides tools for analyzing diffusion in materials.☆103Updated last week
- Generating Deep Potential with Python☆64Updated this week
- FTCP code☆32Updated last year
- ☆50Updated 3 years ago
- Atomistic Line Graph Neural Network https://scholar.google.com/citations?user=9Q-tNnwAAAAJ&hl=en https://www.youtube.com/watch?v=WYePj…☆247Updated this week
- BAMBOO (Bytedance AI Molecular BOOster) is an AI-driven machine learning force field designed for precise and efficient electrolyte simu…☆47Updated last week
- A large scale benchmark of materials design methods: https://www.nature.com/articles/s41524-024-01259-w☆62Updated this week
- CrySPY is a crystal structure prediction tool written in Python.☆120Updated 7 months ago
- ☆73Updated last month
- Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.☆42Updated 7 months ago
- An E(3) equivariant Graph Neural Network for predicting electronic Hamiltonian matrix☆75Updated last week
- SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)☆46Updated 2 years ago
- updated constant potential plugin for LAMMPS☆37Updated last year
- Reference implementation of "SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects"☆68Updated 2 years ago
- A... M... L...☆47Updated 2 years ago
- ☆56Updated last month