Alternatives and similar repositories for torsional-diffusion

Users that are interested in torsional-diffusion are comparing it to the libraries listed below

• learningmatter-mit / geom
  GEOM: Energy-annotated molecular conformations
  ☆236Updated 3 years ago
• PattanaikL / GeoMol
  ☆165Updated last year
• igashov / DiffLinker
  DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design
  ☆368Updated last year
• DeepGraphLearning / ConfGF
  Implementation of Learning Gradient Fields for Molecular Conformation Generation (ICML 2021).
  ☆171Updated 4 years ago
• drorlab / atom3d
  ATOM3D: tasks on molecules in three dimensions
  ☆317Updated 2 years ago
• pengxingang / Pocket2Mol
  Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets
  ☆381Updated 2 years ago
• guanjq / targetdiff
  The official implementation of 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction (ICLR 2023)
  ☆316Updated 2 years ago
• wenhao-gao / mol_opt
  ☆227Updated last year
• amorehead / awesome-molecular-generation
  Awesome papers related to generative molecular modeling and design.
  ☆336Updated 5 months ago
• shehzaidi / pre-training-via-denoising
  Official implementation of pre-training via denoising for TorchMD-NET
  ☆99Updated 2 years ago
• atomicarchitects / equiformer
  [ICLR 2023 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs
  ☆268Updated 11 months ago
• torchmd / torchmd-net
  Training neural network potentials
  ☆461Updated last week
• BenevolentAI / guacamol_baselines
  Baselines models for GuacaMol benchmarks
  ☆145Updated last year
• luost26 / 3D-Generative-SBDD
  💊 A 3D Generative Model for Structure-Based Drug Design (NeurIPS 2021)
  ☆200Updated 2 years ago
• BioinfoMachineLearning / bio-diffusion
  A geometry-complete diffusion generative model (GCDM) for 3D molecule generation and optimization. (Nature CommsChem)
  ☆224Updated 7 months ago
• Dunni3 / FlowMol
  Mixed continous/categorical flow-matching model for de novo molecule generation.
  ☆174Updated last month
• MinkaiXu / GeoDiff
  Implementation of GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation (ICLR 2022).
  ☆395Updated 2 years ago
• arneschneuing / DiffSBDD
  A Euclidean diffusion model for structure-based drug design.
  ☆483Updated 6 months ago
• AlexDuvalinho / geometric-gnns
  List of Geometric GNNs for 3D atomic systems
  ☆119Updated last year
• atomistic-machine-learning / G-SchNet
  G-SchNet - a generative model for 3d molecular structures
  ☆145Updated 2 years ago
• microsoft / molecule-generation
  Implementation of MoLeR: a generative model of molecular graphs which supports scaffold-constrained generation
  ☆316Updated 2 years ago
• drorlab / gvp-pytorch
  Geometric Vector Perceptrons --- a rotation-equivariant GNN for learning from biomolecular structure
  ☆315Updated 2 months ago
• HannesStark / 3DInfomax
  Making self-supervised learning work on molecules by using their 3D geometry to pre-train GNNs. Implemented in DGL and Pytorch Geometric.
  ☆171Updated 2 years ago
• drorlab / gvp
  Geometric Vector Perceptron --- a rotation-equivariant GNN for learning from biomolecular structure
  ☆161Updated 4 years ago
• divelab / MoleculeX
  ☆171Updated 3 years ago
• wengong-jin / multiobj-rationale
  Multi-Objective Molecule Generation using Interpretable Substructures (ICML 2020)
  ☆165Updated 3 years ago
• gnina / models
  Trained caffe models
  ☆97Updated 2 years ago
• TUM-DAML / gemnet_pytorch
  GemNet model in PyTorch, as proposed in "GemNet: Universal Directional Graph Neural Networks for Molecules" (NeurIPS 2021)
  ☆215Updated 2 years ago
• divelab / GraphBP
  Official implementation of "Generating 3D Molecules for Target Protein Binding" [ICML2022 Long Presentation]
  ☆110Updated 2 years ago
• ehoogeboom / e3_diffusion_for_molecules
  ☆543Updated 3 years ago