noegroup / bgflowLinks
Boltzmann Generators and Normalizing Flows in PyTorch
☆171Updated last year
Alternatives and similar repositories for bgflow
Users that are interested in bgflow are comparing it to the libraries listed below
Sorting:
- ☆60Updated 3 years ago
- ☆89Updated 3 years ago
- A short and easy PyTorch implementation of E(n) Equivariant Graph Neural Networks☆133Updated 3 years ago
- jax library for E3 Equivariant Neural Networks☆212Updated 6 months ago
- E(3) Steerable Graph Neural Network☆119Updated 2 years ago
- Implementation of Torsional Diffusion for Molecular Conformer Generation (NeurIPS 2022)☆266Updated last year
- A Library for Gaussian Processes in Chemistry☆238Updated 10 months ago
- [TMLR 2023] Training and simulating MD with ML force fields☆112Updated 9 months ago
- A collection of QM data for training potential functions☆179Updated 5 months ago
- Mixed continous/categorical flow-matching model for de novo molecule generation.☆115Updated last month
- repository and website for tutorials on 3d Euclidean equivariant neural networks☆72Updated 4 years ago
- Build neural networks for machine learning force fields with JAX☆123Updated 2 months ago
- ☆31Updated 2 years ago
- cuEquivariance is a math library that is a collective of low-level primitives and tensor ops to accelerate widely-used models, like DiffD…☆272Updated this week
- [ICLR 2025] GotenNet: Rethinking Efficient 3D Equivariant Graph Neural Networks☆42Updated this week
- Pytorch differentiable molecular dynamics☆178Updated 2 years ago
- Codebase for Cormorant Neural Networks☆60Updated 3 years ago
- This Denoising Force Field (DFF) codebase provides a Pytorch framework for the method presented in Two for one: Diffusion models and forc…☆62Updated last year
- E3x is a JAX library for constructing efficient E(3)-equivariant deep learning architectures built on top of Flax.☆109Updated 4 months ago
- Lagrangian formulation of Doob's h-transform allowing for efficient rare event sampling☆50Updated 4 months ago
- G-SchNet - a generative model for 3d molecular structures☆141Updated 2 years ago
- Timewarp is a research project using deep learning to accelerate molecular dynamics simulation.☆56Updated 11 months ago
- [ICLR 2023 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs☆246Updated 6 months ago
- SE(3) Equivariant Augmented Coupling Flows. NeurIPS 2023.☆24Updated last year
- [ICLR 2024 Spotlight] Official Implementation of "Enabling Efficient Equivariant Operations in the Fourier Basis via Gaunt Tensor Product…☆64Updated 9 months ago
- Training neural network potentials☆427Updated 2 months ago
- List of Geometric GNNs for 3D atomic systems☆115Updated last year
- Code for “FlowMM Generating Materials with Riemannian Flow Matching” and "FlowLLM: Flow Matching for Material Generation with Large Langu…☆152Updated 9 months ago
- GemNet model in PyTorch, as proposed in "GemNet: Universal Directional Graph Neural Networks for Molecules" (NeurIPS 2021)☆204Updated 2 years ago
- Reference implementation of "Ewald-based Long-Range Message Passing for Molecular Graphs" (ICML 2023)☆50Updated 2 years ago