bytedance / bambooView external linksLinks
BAMBOO (Bytedance AI Molecular BOOster) is an AI-driven machine learning force field designed for precise and efficient electrolyte simulations.
☆148Nov 12, 2025Updated 3 months ago
Alternatives and similar repositories for bamboo
Users that are interested in bamboo are comparing it to the libraries listed below
Sorting:
- AIMNet2: Fast, accurate and transferable neural network interatomic potential☆18Oct 17, 2024Updated last year
- Equivariant network to predict activation barriers and molecular orbitals through coefficients of molecular orbitals.☆12Feb 13, 2024Updated 2 years ago
- [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential☆58Sep 26, 2025Updated 4 months ago
- SevenNet - a graph neural network interatomic potential package supporting efficient multi-GPU parallel molecular dynamics simulations.☆222Feb 6, 2026Updated last week
- byteff source code☆78Feb 26, 2025Updated 11 months ago
- A python library for calculating materials properties from the PES☆131Updated this week
- A plugin to use Nvidia GPU in PySCF package☆267Feb 6, 2026Updated last week
- Machine learning interatomic potential for condensed-phase reactive chemistry☆21Jun 6, 2024Updated last year
- Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov☆363Oct 26, 2025Updated 3 months ago
- Automated Complex Generator☆14Dec 16, 2024Updated last year
- ☆29Jan 15, 2026Updated 3 weeks ago
- A Newtonian message passing network for deep learning of interatomic potentials and forces☆45Updated this week
- 🌟 [NeurIPS '25 Spotlight] Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics …☆89Jan 28, 2026Updated 2 weeks ago
- Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)☆73Aug 15, 2024Updated last year
- ☆18Jul 29, 2024Updated last year
- Torch-native, batchable, atomistic simulations.☆407Updated this week
- Code for the paper titled "The Design Space of E(3)-Equivariant Atom-Centered Interatomic Potentials".☆16Nov 7, 2024Updated last year
- ☆40Feb 2, 2026Updated last week
- Modulated automation of cluster expansion based on atomate2 and Jobflow☆12Feb 2, 2026Updated last week
- ML potentials via transfer learning☆24Updated this week
- A unified platform for fine-tuning atomistic foundation models in chemistry and materials science☆71Feb 5, 2026Updated last week
- MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.☆1,051Updated this week
- ☆27Nov 4, 2024Updated last year
- Run OpenMM with forces provided by any Python program☆39Dec 25, 2024Updated last year
- CUDA implementations of MACE models☆23Aug 19, 2025Updated 5 months ago
- ☆16Feb 17, 2025Updated 11 months ago
- ☆158Sep 11, 2024Updated last year
- Reference implementation of "SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects"☆85May 6, 2022Updated 3 years ago
- Train, fine-tune, and manipulate machine learning models for atomistic systems☆54Updated this week
- Training neural network potentials☆466Jan 26, 2026Updated 2 weeks ago
- MLP training for molecular systems☆56Feb 5, 2026Updated last week
- ☆118Updated this week
- A Python software package for saddle point optimization and minimization of atomic systems.☆132Jan 19, 2026Updated 3 weeks ago
- An interface between the Materials Project software suite and the Schrodinger Python API, designed to allow for high-throughput execution…☆13Apr 8, 2024Updated last year
- ☆22Dec 10, 2024Updated last year
- Deep Modeling for Molecular Simulation 2023, four-day in-person workshop, July 11-14, 2023☆23Jul 14, 2023Updated 2 years ago
- Active Learning for Machine Learning Potentials☆63Feb 3, 2026Updated last week
- AMLP integrates dataset creation, input/output handling, and analysis for machine learning interatomic potentials. It supports Gaussian, …☆28Feb 4, 2026Updated last week
- Adds Orb Model functionality to LAMMPS via Python wrapping☆15Apr 1, 2025Updated 10 months ago