bytedance / bamboo
BAMBOO (Bytedance AI Molecular BOOster) is an AI-driven machine learning force field designed for precise and efficient electrolyte simulations.
☆50Updated last month
Alternatives and similar repositories for bamboo:
Users that are interested in bamboo are comparing it to the libraries listed below
- ☆60Updated this week
- ☆51Updated 3 years ago
- LAMMPS pair style for Allegro deep learning interatomic potentials with parallelization support☆40Updated 3 months ago
- Python library for the construction of porous materials using topology and building blocks.☆62Updated last month
- Machine-Learning-Based Interatomic Potentials for Catalysis: an Universal Catalytic Large Atomic Model☆31Updated last month
- Collection of tutorials to use the MACE machine learning force field.☆43Updated 5 months ago
- Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)☆58Updated 6 months ago
- A Python software package for saddle point optimization and minimization of atomic systems.☆88Updated 4 months ago
- ☆41Updated 2 years ago
- MACE-MP models☆72Updated last month
- A system for rapid identification and analysis of metal-organic frameworks☆48Updated 2 months ago
- A collection of Nerual Network Models for chemistry☆112Updated this week
- Code for automated fitting of machine learned interatomic potentials.☆66Updated this week
- AI-enhanced computational chemistry☆77Updated 2 months ago
- Gromacs to Lammps simulation converter☆72Updated last year
- ☆26Updated last year
- An automated enhanced sampling generation of training sets for chemically reactive machine learning interatomic potentials☆15Updated 3 months ago
- This is the source code for paper "Neural Network Potentials for Accelerated Metadynamics of Oxygen Reduction Kinetics at Au-Water Interf…☆21Updated 8 months ago
- MACE-OFF23 models☆32Updated 3 weeks ago
- ☆24Updated 10 months ago
- Efficient And Fully Differentiable Extended Tight-Binding☆82Updated this week
- Thermal and photochemical reaction path optimization and discovery☆59Updated 9 months ago
- add the influence of external field to REANN model☆23Updated 5 months ago
- Force field for ionic liquids☆61Updated 6 months ago
- Active Learning for Machine Learning Potentials☆49Updated 9 months ago
- ☆65Updated last year
- Official implementation of DeepDFT model☆70Updated last year
- A flexible workflow for on-the-fly learning of interatomic potential models.☆25Updated 9 months ago
- PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from…☆50Updated last year
- A collection of tools and databases for atomistic machine learning☆47Updated 3 years ago