Alternatives and similar repositories for data_efficient_grammar

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

• gncs / molgym
  Reinforcement Learning for Molecular Design Guided by Quantum Mechanics
  ☆126Updated 2 years ago
• 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
• senya-ashukha / simple-equivariant-gnn
  A short and easy PyTorch implementation of E(n) Equivariant Graph Neural Networks
  ☆138Updated 3 years ago
• gmum / huggingmolecules
  ☆124Updated 2 years ago
• microsoft / FS-Mol
  FS-Mol is A Few-Shot Learning Dataset of Molecules, containing molecular compounds with measurements of activity against a variety of pr…
  ☆169Updated 2 years ago
• ncfrey / litmatter
  Rapid experimentation and scaling of deep learning models on molecular and crystal graphs.
  ☆75Updated last year
• MinkaiXu / ConfVAE-ICML21
  An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)
  ☆51Updated 4 years ago
• BenevolentAI / guacamol_baselines
  Baselines models for GuacaMol benchmarks
  ☆143Updated last year
• divelab / GraphBP
  Official implementation of "Generating 3D Molecules for Target Protein Binding" [ICML2022 Long Presentation]
  ☆109Updated 2 years ago
• PattanaikL / GeoMol
  ☆162Updated last year
• DeepGraphLearning / ConfGF
  Implementation of Learning Gradient Fields for Molecular Conformation Generation (ICML 2021).
  ☆169Updated 4 years ago
• TUM-DAML / synthetic_coordinates
  Synthetic coordinates for GNNs, as proposed in "Directional Message Passing on Molecular Graphs via Synthetic Coordinates" (NeurIPS 2021)
  ☆30Updated 2 years ago
• vict0rsch / faenet
  ☆33Updated 7 months ago
• ibm-research-tokyo / graph_grammar
  Code for "Molecular Hypergraph Grammar with Its Application to Molecular Optimization"
  ☆39Updated 9 months ago
• ml-jku / clamp
  Code for the paper Enhancing Activity Prediction Models in Drug Discovery with the Ability to Understand Human Language
  ☆103Updated last year
• GLambard / Molecules_Dataset_Collection
  Collection of data sets of molecules for a validation of properties inference
  ☆109Updated 7 years ago
• RobDHess / Steerable-E3-GNN
  E(3) Steerable Graph Neural Network
  ☆122Updated 2 years ago
• learningmatter-mit / geom
  GEOM: Energy-annotated molecular conformations
  ☆232Updated 3 years ago
• cvignac / MiDi
  MiDi: Mixed Graph and 3D Denoising Diffusion for Molecule Generation
  ☆106Updated last year
• HannesStark / 3DInfomax
  Making self-supervised learning work on molecules by using their 3D geometry to pre-train GNNs. Implemented in DGL and Pytorch Geometric.
  ☆169Updated 2 years ago
• nyu-dl / dl4chem-mgm
  ☆68Updated 3 years ago
• wenhao-gao / mol_opt
  ☆220Updated last year
• gcorso / torsional-diffusion
  Implementation of Torsional Diffusion for Molecular Conformer Generation (NeurIPS 2022)
  ☆271Updated last year
• divelab / MoleculeX
  ☆170Updated 3 years ago
• pfnet-research / graph-nvp
  GraphNVP: An Invertible Flow Model for Generating Molecular Graphs
  ☆97Updated 3 years ago
• gncs / graphdg
  Generative model for molecular distance geometry
  ☆38Updated 2 years ago
• ml-jku / mhn-react
  Modern Hopfield Network (MHN) for template relevance prediction
  ☆45Updated 2 years ago
• kyonofx / mlcgmd
  [TMLR 2023] Simulate time-integrated coarse-grained MD with multi-scale graph neural networks
  ☆72Updated 2 years ago
• MJ10 / BioSeq-GFN-AL
  Code for "Biological Sequence Design with GFlowNets", 2022
  ☆74Updated 2 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…
  ☆75Updated 4 years ago