byteff source code
☆86Feb 26, 2025Updated last year
Alternatives and similar repositories for byteff
Users that are interested in byteff are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆44Jun 9, 2026Updated last month
- Run OpenMM with forces provided by any Python program☆42Dec 25, 2024Updated last year
- SO3krates and Universal Pairwise Force Field for Molecular Simulation☆227Apr 17, 2026Updated 3 months ago
- A machine learned Molecular Mechanics force field with integration into GROMACS and OpenMM☆63Jul 9, 2026Updated last week
- Code for Explainable Synthesizability Prediction of Inorganic Crystal Polymorphs using Large Language Models☆12Feb 19, 2025Updated last year
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Stable AutoCorrelation Integral Estimator☆17May 18, 2026Updated 2 months ago
- ☆25Nov 1, 2024Updated 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 3 months ago
- AIMNet2: Fast and accurate machine-learned interatomic potential for molecular dynamics simulations☆93Jul 1, 2026Updated 2 weeks ago
- ☆16Apr 22, 2025Updated last year
- Diffusion models for disordered materials☆21Nov 18, 2025Updated 8 months ago
- The public versio☆107Jun 26, 2023Updated 3 years ago
- OMNI-P2x: A universal neural network potential for excited states☆15Mar 19, 2026Updated 4 months ago
- A universal ML model to predict molecular dynamics trajectories with long time steps☆55Jul 5, 2026Updated 2 weeks ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- GPTFF allowing anyone to directly download and run the AI model in an out-of-the-box manner☆71Jul 12, 2026Updated last week
- MLP training for molecular systems☆60Jul 8, 2026Updated last week
- eOn v2 and beyond☆17Updated this week
- ☆17Jun 9, 2026Updated last month
- Force-field-enhanced Neural Networks optimized library☆88Jun 29, 2026Updated 3 weeks ago
- DEPRECATED — migrated to isayevlab/aimnetcentral☆170Apr 11, 2026Updated 3 months ago
- More efficient and faster version of pyscal☆31May 1, 2026Updated 2 months ago
- Framework to evaluate UMLFFs on experimental data☆15Jul 12, 2026Updated last week
- Reproduction of CGCNN for predicting material properties☆27Jul 7, 2026Updated 2 weeks ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Free Parametrization for Small Molecules☆66Jun 30, 2026Updated 3 weeks ago
- DIfferentiable MOlecular Simulator (DIMOS): A pyTorch based framework for machine-learning enhanced simulations☆32Nov 11, 2025Updated 8 months ago
- tools for graph-based machine-learning potentials in jax☆27Apr 9, 2024Updated 2 years ago
- ML potentials via transfer learning☆29Updated this week
- JAX implementation of the NequIP neural network interatomic potential☆17Feb 24, 2026Updated 4 months ago
- ☆12Oct 9, 2025Updated 9 months ago
- CUDA implementations of MACE models☆23Aug 19, 2025Updated 11 months ago
- Standalone charge assignment from Espaloma framework.☆47Oct 10, 2025Updated 9 months ago
- Histidine Protonation State Optimizer for setting up MD simulations based on semi-empirical QM resonance☆20Mar 6, 2026Updated 4 months ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- A cellular automaton for simulation solid state reactions☆17Jul 13, 2026Updated last week
- Automatic generation of LAMMPS data file for atomistic and coarse-grained simulations of molecular and polymeric materials with various t…☆25Jul 6, 2026Updated 2 weeks ago
- Training Neural Network potentials through customizable routines in JAX.☆73Jun 30, 2026Updated 3 weeks ago
- A Multi-Operator Equivariant Framework for High-Performance Machine Learning Force Fields, supporting External Fields embedding and Physi…☆21Jun 14, 2026Updated last month
- C++ toolkit for post-processing molecular dynamics trajectories, with a focus on high-performance static and dynamic analyses of amorphou…☆28Jul 7, 2026Updated last week
- Enhanced sampling in the representation space of atomistic neural networks.☆15Jul 13, 2026Updated last week
- MACE-OFF23 models☆74Jan 29, 2025Updated last year