☆46Jun 9, 2026Updated 2 months ago
Alternatives and similar repositories for byteff2
Users that are interested in byteff2 are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- For advanced physics-driven combined with neural network enhancement force field.☆19Mar 9, 2026Updated 5 months ago
- byteff source code☆87Feb 26, 2025Updated last year
- BAMBOO (Bytedance AI Molecular BOOster) is an AI-driven machine learning force field designed for precise and efficient electrolyte simu…☆160Mar 25, 2026Updated 4 months ago
- Framework to evaluate UMLFFs on experimental data☆15Jul 25, 2026Updated 2 weeks ago
- ☆15Jul 21, 2026Updated 3 weeks ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- A general graph neural network for the prediction of reaction-level properties☆10Dec 12, 2024Updated last year
- JIT-compiled GPU kernels for quantum chemistry☆36Jan 30, 2026Updated 6 months ago
- Run OpenMM with forces provided by any Python program☆42Dec 25, 2024Updated last year
- bamboo mixer☆65May 9, 2026Updated 3 months ago
- AIMNet2: Fast, accurate and transferable neural network interatomic potential☆19Oct 17, 2024Updated last year
- OpenMM plugin that implements (an)isotropic polarizable point dipoles and multipoles up to octopoles.☆12Feb 7, 2025Updated last year
- ☆17Jul 23, 2026Updated 3 weeks ago
- ☆32Nov 4, 2024Updated last year
- A Python library for constructing polymer topologies and coordinates☆22Sep 23, 2025Updated 10 months ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- MLPs fitted using the Latent Ewald Summation (LES) library and associated scripts.☆27May 22, 2026Updated 2 months ago
- LigParGen python package version 2.3 (beta)☆14Apr 19, 2025Updated last year
- Code for Explainable Synthesizability Prediction of Inorganic Crystal Polymorphs using Large Language Models☆13Feb 19, 2025Updated last year
- AIMNet2: Fast and accurate machine-learned interatomic potential for molecular dynamics simulations☆103Updated this week
- A collection of simulation recipes for the atomic-scale modeling of materials and molecules☆54Aug 6, 2026Updated last week
- A benchmark for Large Atomistic Models☆20Updated this week
- High-performance operations for neural network potentials☆102Jun 9, 2026Updated 2 months ago
- [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential☆61Sep 26, 2025Updated 10 months ago
- A unified platform for fine-tuning atomistic foundation models in chemistry and materials science☆82Jun 29, 2026Updated last month
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Create atomistic structures with ASE, rdkit and packmol☆27Updated this week
- Python interface for Enhanced Monte Carlo (EMC)☆24Updated this week
- Official repository for the paper "Higher-Rank Irreducible Cartesian Tensors for Equivariant Message Passing".☆20Dec 4, 2025Updated 8 months ago
- A platform for setting up high throughput polymer electrolyte MD simulations.☆22May 9, 2026Updated 3 months ago
- DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable implementation of molecular…☆199Jul 21, 2026Updated 3 weeks ago
- Depiction of Potential Energy Surfaces☆18Oct 1, 2025Updated 10 months ago
- ☆70Jul 9, 2026Updated last month
- C++ toolkit for post-processing molecular dynamics trajectories, with a focus on high-performance static and dynamic analyses of amorphou…☆28Jul 21, 2026Updated 3 weeks ago
- Particle-mesh based calculations of long-range interactions in PyTorch☆81Aug 3, 2026Updated last week
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Enhanced sampling in the representation space of atomistic neural networks.☆17Updated this week
- Electronegativity equilibration model for atomic partial charges☆26Jul 29, 2026Updated 2 weeks ago
- Code repo of Automated MUltiscale Simulation Environment (AMUSE) for multiscale modeling of heterogenous catalytic reactions☆26Nov 12, 2024Updated last year
- Development versions of the g-xTB method. Final implementation will not happen here but in tblite (https://github.com/tblite/tblite).☆202May 14, 2026Updated 2 months ago
- Claude Code skills, subagents, and slash commands for scientific research (paper writing, figures, document automation, Korean research p…☆30Jul 3, 2026Updated last month
- Computing representations for atomistic machine learning☆82Jul 22, 2026Updated 3 weeks ago
- ☆137May 3, 2026Updated 3 months ago