Alternatives and similar repositories for FragNet:

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

• pnnl / solubility-prediction-paper
  ☆15Updated 2 years ago
• isayevlab / DRACON
  ☆17Updated last year
• danielflamshep / xyztransformer
  coming soon
  ☆28Updated last year
• schwallergroup / mhnn
  Molecular Hypergraph Neural Network
  ☆32Updated 6 months ago
• aivant / ShapeLinker
  ☆22Updated 8 months ago
• zielesny / ErtlFunctionalGroupsFinder
  ErtlFunctionalGroupsFinder for CDK
  ☆18Updated last year
• ziqi92 / Modof
  Molecule Optimization via Fragment-based Generative Models
  ☆40Updated last year
• volkamerlab / maxsmi
  maxsmi: a guide to SMILES augmentation. Find the optimal SMILES augmentation for accurate molecular prediction.
  ☆31Updated 11 months ago
• kimeguida / ProCare
  ProCare: A Point Cloud Registration Approach to Align Protein Cavities
  ☆29Updated 2 years ago
• HaotianZhangAI4Science / SDEGen
  ☆22Updated last year
• Hyunseung-Kim / molGCT
  ☆25Updated last year
• NTU-MedAI / MolFrag
  Obtain and organize all feasible fragmentation of molecular methods
  ☆29Updated last year
• coleygroup / shepherd
  Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design
  ☆44Updated 2 weeks ago
• HamidHadipour / Deep-clustering-of-small-molecules-at-large-scale-via-variational-autoencoder-embedding-and-K-means
  ☆15Updated 10 months ago
• yuyangw / iMolCLR
  Implementation of iMolCLR: "Improving Molecular Contrastive Learning via Faulty Negative Mitigation and Decomposed Fragment Contrast" in …
  ☆17Updated 2 years ago
• meyresearch / SILVR
  ☆33Updated 8 months ago
• DrugAI / ACNet
  ☆13Updated 2 years ago
• idrugLab / hignn
  Code for "HiGNN: A Hierarchical Informative Graph Neural Network for Molecular Property Prediction Equipped with Feature-Wise Attention"
  ☆46Updated 2 years ago
• juanniwu / t-SMILES
  ☆29Updated last month
• smiles724 / MROT
  ☆12Updated last year
• daenuprobst / molsetrep
  Molecular Set Representation Learning
  ☆46Updated 2 months ago
• luost26 / ChemProjector
  Projecting Molecules into Synthesizable Chemical Spaces (ICML 2024)
  ☆33Updated 3 weeks ago
• seokhokang / reaction_yield_nn
  Uncertainty-aware prediction of chemical reaction yields with graph neural networks
  ☆23Updated 3 months ago
• conghaowang / GLDM
  ☆15Updated last month
• chemprop / chemprop_benchmark
  Chemprop benchmarking scripts and data for v1
  ☆25Updated 7 months ago
• molecularmodelinglab / bigbind
  The BigBind protein-ligand binding dataset (and BayesBind benchmark)
  ☆17Updated 2 months ago
• DrugBud-Suite / DockM8
  All in one Structure-Based Virtual Screening workflow based on the concept of consensus docking.
  ☆36Updated 2 weeks ago
• Genentech / cremp
  CREMP: Conformer-Rotamer Ensembles of Macrocyclic Peptides for Machine Learning
  ☆11Updated 5 months ago
• SeonghwanSeo / DeepDL
  Official github for "Drug-likeness scoring based on unsupervised learning" (Chemical Science)
  ☆19Updated last year
• hnlab / BindingNet
  ☆23Updated 6 months ago