Alternatives and similar repositories for MFA

Users that are interested in MFA are comparing it to the libraries listed below

• vgsatorras / en_flows
  ☆60Updated 3 years ago
• vict0rsch / faenet
  ☆34Updated 11 months ago
• plainerman / Variational-Doob
  Lagrangian formulation of Doob's h-transform allowing for efficient rare event sampling
  ☆54Updated 10 months ago
• RobDHess / Steerable-E3-GNN
  E(3) Steerable Graph Neural Network
  ☆126Updated 2 years ago
• lsj2408 / Gaunt-Tensor-Product
  [ICLR 2024 Spotlight] Official Implementation of "Enabling Efficient Equivariant Operations in the Fourier Basis via Gaunt Tensor Product…
  ☆68Updated last year
• MinkaiXu / EGNO
  ICML2024: Equivariant Graph Neural Operator for Modeling 3D Dynamics
  ☆60Updated last year
• atomicarchitects / PriceofFreedom
  [ICML'25] The Price of Freedom: Exploring Expressivity and Runtime Tradeoffs in Equivariant Tensor Products
  ☆15Updated 6 months ago
• atomicarchitects / symphony
  [ICLR'24] Symphony: Symmetry-Equivariant Point-Centered Spherical Harmonics for Molecule Generation
  ☆28Updated 11 months ago
• lie-nn / lie-nn
  Tools for building equivariant polynomials on reductive Lie groups.
  ☆36Updated 2 years ago
• senya-ashukha / simple-equivariant-gnn
  A short and easy PyTorch implementation of E(n) Equivariant Graph Neural Networks
  ☆139Updated 4 years ago
• DavidRuhe / clifford-group-equivariant-neural-networks
  Code used by the "Clifford Group Equivariant Neural Networks" paper.
  ☆90Updated last year
• microsoft / two-for-one-diffusion
  This Denoising Force Field (DFF) codebase provides a Pytorch framework for the method presented in Two for one: Diffusion models and forc…
  ☆67Updated last year
• atomicarchitects / DeNS
  [TMLR 2024 J2C Certification] Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields
  ☆40Updated 11 months ago
• smsharma / eqnn-jax
  Annotated implementations of equivariant (graph) neural networks in Jax: EGNN, SEGNN, NequIP.
  ☆40Updated 11 months ago
• lollcat / se3-augmented-coupling-flows
  SE(3) Equivariant Augmented Coupling Flows. NeurIPS 2023.
  ☆24Updated last year
• kyonofx / mlcgmd
  [TMLR 2023] Simulate time-integrated coarse-grained MD with multi-scale graph neural networks
  ☆74Updated 2 years ago
• lollcat / fab-torch
  Flow Annealed Importance Sampling Bootstrap (FAB). ICLR 2023.
  ☆66Updated last year
• omri1348 / Frame-Averaging
  ☆35Updated 3 years ago
• LarsHoldijk / SOCTransitionPaths
  ☆34Updated 3 years ago
• ACEsuit / mace-layer
  Higher order equivariant graph neural networks for 3D point clouds
  ☆46Updated 2 years ago
• facebookresearch / flowmm
  Code for “FlowMM Generating Materials with Riemannian Flow Matching” and "FlowLLM: Flow Matching for Material Generation with Large Langu…
  ☆174Updated last year
• google-research / e3x
  E3x is a JAX library for constructing efficient E(3)-equivariant deep learning architectures built on top of Flax.
  ☆110Updated 10 months ago
• mouthful / ClofNet
  ☆26Updated 2 years ago
• sibasmarak / SymmCD
  ☆24Updated 2 months ago
• noegroup / bgflow
  Boltzmann Generators and Normalizing Flows in PyTorch
  ☆187Updated 2 years ago
• cvignac / MiDi
  MiDi: Mixed Graph and 3D Denoising Diffusion for Molecule Generation
  ☆110Updated last year
• kyonofx / MDsim
  [TMLR 2023] Training and simulating MD with ML force fields
  ☆115Updated last year
• graphcore / ogb-lsc-pcqm4mv2
  The OGB-LSC is the Large Scale Competition by Open Graph Benchmark to help accelerate research into machine learning on graph structured …
  ☆79Updated last year
• gmh14 / data_efficient_grammar
  [ICLR 2022] Data-Efficient Graph Grammar Learning for Molecular Generation
  ☆99Updated 2 years ago
• yuanqing-wang / rum
  Random walk unit with memory
  ☆22Updated last year