Alternatives and similar repositories for e3nn:

Users that are interested in e3nn are comparing it to the libraries listed below

• wwang2 / Coarse-Graining-Auto-encoders
  ☆40Updated 3 years ago
• 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…
  ☆57Updated 10 months ago
• TUM-DAML / synthetic_coordinates
  Synthetic coordinates for GNNs, as proposed in "Directional Message Passing on Molecular Graphs via Synthetic Coordinates" (NeurIPS 2021)
  ☆30Updated last year
• gncs / graphdg
  Generative model for molecular distance geometry
  ☆38Updated last year
• Ryan-Rhys / FlowMO
  Library for training Gaussian Processes on Molecules
  ☆36Updated 3 years ago
• guanjq / confopt_official
  The official implementation of Energy-Inspired Molecular Conformation Optimization (ICLR 2022)
  ☆36Updated 2 years ago
• EleutherAI / mp_nerf
  Massively-Parallel Natural Extension of Reference Frame
  ☆30Updated 2 years ago
• deepchem / torchchem
  An experimental repo for experimenting with PyTorch models
  ☆35Updated last year
• kyonofx / mlcgmd
  [TMLR 2023] Simulate time-integrated coarse-grained MD with multi-scale graph neural networks
  ☆68Updated last year
• lucidrains / molecule-attention-transformer
  Pytorch reimplementation of Molecule Attention Transformer, which uses a transformer to tackle the graph-like structure of molecules
  ☆58Updated 4 years ago
• noegroup / EDMnets
  parameterizing valid Euclidean distance matrices (EDMs) via neural networks
  ☆19Updated 5 years ago
• cieplinski-tobiasz / smina-docking-benchmark
  ☆70Updated 2 years ago
• nyu-dl / dl4chem-geometry
  ☆62Updated 5 years ago
• wwang2 / CoarseGrainingVAE
  Geometric super-resolution for molecular geometries
  ☆39Updated 2 years ago
• Jonas-Verhellen / Bayesian-Illumination
  Bayesian Illumination is an accelerated generative model for optimization of small molecules.
  ☆15Updated 8 months ago
• risilab / cormorant
  Codebase for Cormorant Neural Networks
  ☆61Updated 2 years ago
• LarsHoldijk / SOCTransitionPaths
  ☆28Updated 2 years ago
• debbiemarkslab / NEMO
  Learning protein structure with a differentiable simulator
  ☆27Updated 5 years ago
• lucidrains / neural-plexer-pytorch
  Implementation of Nvidia's NeuralPlexer, for end-to-end differentiable design of functional small-molecules and ligand-binding proteins, …
  ☆50Updated last year
• ardagoreci / Chroma
  Chroma Protein Diffusion Model
  ☆10Updated last year
• arthurkosmala / EwaldMP
  Reference implementation of "Ewald-based Long-Range Message Passing for Molecular Graphs" (ICML 2023)
  ☆46Updated last year
• drorlab / DIPS
  Database of Interacting Protein Structures (DIPS)
  ☆98Updated last year
• divelab / GraphBP
  Official implementation of "Generating 3D Molecules for Target Protein Binding" [ICML2022 Long Presentation]
  ☆106Updated last year
• psipred / cgdms
  Differentiable molecular simulation of proteins with a coarse-grained potential
  ☆55Updated last month
• learningmatter-mit / GenZProt
  ☆26Updated last year
• RMeli / gnina-torch
  🔥 PyTorch implementation of GNINA scoring function for molecular docking
  ☆61Updated 2 weeks ago
• plainerman / Variational-Doob
  Lagrangian formulation of Doob's h-transform allowing for efficient rare event sampling
  ☆48Updated last week
• MinkaiXu / ConfVAE-ICML21
  An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)
  ☆51Updated 3 years ago
• lucidrains / geometric-vector-perceptron
  Implementation of Geometric Vector Perceptron, a simple circuit for 3d rotation equivariance for learning over large biomolecules, in Pyt…
  ☆72Updated 3 years ago