Alternatives and similar repositories for dgl-playground:

Users that are interested in dgl-playground are comparing it to the libraries listed below

• gmum / graph-representations
  Comparing graph representations for molecular features prediction
  ☆21Updated last year
• learningmatter-mit / GLAMOUR
  Graph Learning over Macromolecule Representations
  ☆21Updated 2 years ago
• Ryan-Rhys / FlowMO
  Library for training Gaussian Processes on Molecules
  ☆36Updated 3 years ago
• jaechanglim / CH485---Artificial-Intelligence-and-Chemistry
  CH485 - Artificial Intelligence and Chemistry
  ☆14Updated 5 years ago
• rinikerlab / RDKit_mETKDG
  A docker image containing changes applied to the ETKDG conformer generator workflow, with example scripts.
  ☆9Updated 5 years ago
• choderalab / gimlet
  Graph Inference on MoLEcular Topology
  ☆26Updated last year
• GLambard / inverse-molecular-design
  Autonomous generator of novel organic compounds from target physicochemical properties. It accelerates innovations in novel materials and…
  ☆16Updated 7 years ago
• pnnl / mol_dgnn
  Molecular Dynamic Graph Neural Network
  ☆19Updated 3 years ago
• deepchem / torchchem
  An experimental repo for experimenting with PyTorch models
  ☆35Updated last year
• TUM-DAML / synthetic_coordinates
  Synthetic coordinates for GNNs, as proposed in "Directional Message Passing on Molecular Graphs via Synthetic Coordinates" (NeurIPS 2021)
  ☆29Updated last year
• chennnnnyize-zz / Generative-Molecules
  ☆31Updated 6 years ago
• rochesterxugroup / DSGPM
  Deep Supervised Graph Partitioning Model
  ☆14Updated 3 years ago
• blondegeek / e3nn_symm_breaking
  Code repository for "Finding symmetry breaking order parameters with Euclidean Neural Networks"
  ☆14Updated 4 years ago
• hkaneko1985 / structure_generator_based_on_r_group
  Structure Generator based on R-Group (SGRG)
  ☆9Updated 5 years ago
• ibayashi-hikaru / allegro-legato
  Robust NN MD simulator
  ☆20Updated last year
• msultan / vde_metadynamics
  Enhanced protein mutational sampling using time-lagged variational autoencoders
  ☆29Updated 6 years ago
• stewu5 / HighTCond_Polymer_iqspr
  R codes for generating candidates of novel polymers with high thermal conductivity using iqspr (R package)
  ☆13Updated 6 years ago
• learningmatter-mit / Coarse-Graining-Auto-encoders
  ☆21Updated 5 years ago
• chemprop / chemprop_benchmark
  Chemprop benchmarking scripts and data for v1
  ☆25Updated 8 months ago
• gscalia / chemprop
  Message Passing Neural Networks for Molecule Property Prediction
  ☆11Updated 5 years ago
• nyu-dl / dl4chem-geometry
  ☆62Updated 5 years ago
• MinkaiXu / ConfVAE-ICML21
  An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)
  ☆51Updated 3 years ago
• josejimenezluna / xaibench_tf
  Supporting models and data to doi 10.1021/acs.jcim.1c01163
  ☆15Updated 2 years ago
• gncs / graphdg
  Generative model for molecular distance geometry
  ☆38Updated last year
• CDAL-SChoi / BigSMILES_homopolymer
  Automated BigSMILES conversion workflow and dataset for homopolymeric macromolecules
  ☆11Updated 8 months ago
• ibm-research-tokyo / graph_grammar
  Code for "Molecular Hypergraph Grammar with Its Application to Molecular Optimization"
  ☆39Updated 2 months ago
• tsudalab / DP-ChemTS
  A distributed framework based on Monte Carlo tree search for accelerating molecular discovery.
  ☆14Updated 6 years ago
• georgelamb19 / chempropBayes
  Bayesian MPNNs for Molecular Property Prediction
  ☆27Updated 4 years ago
• isayevlab / DRACON
  ☆17Updated last year
• rxn4chemistry / OpenNMT-py
  RXN fork of OpenNMT-py - Open Source Neural Machine Translation in PyTorch
  ☆26Updated last year