Fast and accurate coarse-grained neural network molecular dynamics
☆15Jul 13, 2026Updated last week
Alternatives and similar repositories for flash-molecular-dynamics
Users that are interested in flash-molecular-dynamics are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- PaiNN in jax☆11Jan 14, 2025Updated last year
- JAX implementation of the NequIP neural network interatomic potential☆17Feb 24, 2026Updated 4 months ago
- [ICML 2024] Code for the paper "MoE-RBench: Towards Building Reliable Language Models with Sparse Mixture-of-Experts"☆11Jul 1, 2024Updated 2 years ago
- Next generation machine learning force field on enzymatic catalysis☆17Updated this week
- [ECCV 2024] Code for the paper "Mew: Multiplexed Immunofluorescence Image Analysis through an Efficient Multiplex Network"☆17Jul 27, 2024Updated last year
- 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.
- ☆18Feb 26, 2026Updated 4 months ago
- A universal ML model to predict molecular dynamics trajectories with long time steps☆55Jul 5, 2026Updated 2 weeks ago
- Training Neural Network potentials through customizable routines in JAX.☆73Jun 30, 2026Updated 3 weeks ago
- Tensor Atomic Cluster Expansion☆51Updated this week
- Annotated implementations of equivariant (graph) neural networks in Jax: EGNN, SEGNN, NequIP.☆43Mar 1, 2025Updated last year
- Differentiable RNA folding in JAX☆30Mar 25, 2025Updated last year
- AIMNet2: Fast, accurate and transferable neural network interatomic potential☆18Oct 17, 2024Updated last year
- This repository gathers the SchNet4AIM code along with some instructions and readme files.☆15Mar 13, 2024Updated 2 years ago
- Official code for the paper "Examining Post-Training Quantization for Mixture-of-Experts: A Benchmark"☆30Jun 30, 2025Updated last year
- 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.
- [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential☆60Sep 26, 2025Updated 9 months ago
- ☆23May 2, 2025Updated last year
- Implementation of the Euclidean fast attention (EFA) algorithm☆101Jan 7, 2026Updated 6 months ago
- Enhanced sampling in the representation space of atomistic neural networks.☆15Jul 13, 2026Updated last week
- Bridging Smoothed Molecular Dynamics and Score-Based Learning for Conformational Ensembles☆20May 16, 2026Updated 2 months ago
- ☆22May 7, 2025Updated last year
- Building Blocks for Equivariant Neural Networks in e3nn and PyTorch 2.0☆20Nov 16, 2025Updated 8 months ago
- ☆10Mar 31, 2023Updated 3 years ago
- Flow-matching for coarse graining of miniproteins.☆20Nov 18, 2022Updated 3 years ago
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- eXtended Equivairant Graph Neural Network☆17Jul 23, 2025Updated 11 months ago
- Material Potential Library (MatPL) (formerly known as PWMLFF, https://github.com/LonxunQuantum/PWMLFF) is an open-source software package…☆15Updated this week
- A collection of files related to machine learning force fields☆25Oct 25, 2023Updated 2 years ago
- Torch-native C++/CUDA library to accelerate tensor-product layers in MLIPs☆62May 27, 2026Updated last month
- Stable AutoCorrelation Integral Estimator☆17May 18, 2026Updated 2 months ago
- Infrastructure to implement and train NNPs☆28Jul 11, 2026Updated last week
- Steerable E(3) GNN in jax☆24Oct 1, 2023Updated 2 years ago
- Pure C implementation of e3nn☆25Mar 17, 2025Updated last year
- Source code for RNA-FrameFlow: SE(3) Flow Matching for 3D RNA Backbone Design☆101Oct 15, 2025Updated 9 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.
- [ICML 2023] Meta-SAGE: Scale Meta-Learning Scheduled Adaptation with Guided Exploration for Mitigating Scale Shift on Combinatorial Optim…☆10Dec 19, 2023Updated 2 years ago
- OpenEquivariance: a fast, open-source GPU JIT kernel generator for the Clebsch-Gordon Tensor Product.☆161Updated this week
- CUDA implementations of MACE models☆23Aug 19, 2025Updated 11 months ago
- Retrosynthesis Prediction with an Iterative String Editing Model☆34Dec 27, 2024Updated last year
- ☆12Dec 13, 2023Updated 2 years ago
- Example to fit parameters and run CG simulations using TorchMD and Schnet☆48Feb 4, 2022Updated 4 years ago
- Machine Learned Interatomic Potential Tools☆25Jul 13, 2026Updated last week