Alternatives and similar repositories for mol_reliable_gnn:

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

• AITRICS / FREED
  Fragment-based generative RL with Explorative Experience replay for Drug design (FREED)
  ☆52Updated 2 years ago
• MinkaiXu / ConfVAE-ICML21
  An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)
  ☆51Updated 3 years ago
• ngminhtri0394 / GEFA
  Implementation of GEFA: Early Fusion Approach in Drug-Target Affinity Prediction
  ☆20Updated 4 years ago
• maxime-langevin / scaffold-constrained-generation
  ☆37Updated 4 years ago
• IBM / InterpretableDTIP
  InterpretableDTIP
  ☆20Updated 6 years ago
• gicsaw / ARAE_SMILES
  ☆25Updated 4 years ago
• jaechanglim / GNN_DTI
  ☆66Updated 4 years ago
• john-bradshaw / electro
  Core code for the paper "A Generative Model For Electron Paths" (https://openreview.net/forum?id=r1x4BnCqKX).
  ☆18Updated 5 years ago
• ninglab / Modof
  The implementation of Modof for Molecule Optimization
  ☆27Updated last year
• jaechanglim / GGM
  graph generative model for molecule
  ☆39Updated 5 years ago
• jaechanglim / DTI_PDBbind
  ☆32Updated 3 years ago
• lhirschfeld / ChempropUncertaintyQuantification
  Message Passing Neural Networks for Molecule Property Prediction
  ☆24Updated 4 years ago
• DeepGraphLearning / CGCF-ConfGen
  Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)
  ☆22Updated 3 years ago
• YinanHuang / 3DLinker
  An E(3) Equivariant Variational Autoencoder for Molecular Linker Design
  ☆47Updated 2 years ago
• m-mokaya / RIOP
  ☆17Updated last year
• MinkaiXu / CGCF-ConfGen
  Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)
  ☆45Updated 3 years ago
• jaechanglim / CVAE
  github for "Molecular generative model based on conditional variational autoencoder for de novo molecular design"
  ☆102Updated 2 years ago
• wenhao-gao / askcos_synthesizability
  ☆28Updated 2 years ago
• longlongman / DESERT
  Zero-Shot 3D Drug Design by Sketching and Generating (NeurIPS 2022)
  ☆32Updated 2 years ago
• keiserlab / autofragdiff
  ☆25Updated 9 months ago
• wsjeon92 / FP2VEC
  ☆17Updated 4 years ago
• Rose-STL-Lab / LIMO
  generative model for drug discovery
  ☆59Updated last year
• Hyunseung-Kim / molGCT
  ☆25Updated last year
• danielflamshep / xyztransformer
  coming soon
  ☆28Updated last year
• AndMastro / EdgeSHAPer
  EdgeSHAPer: Bond-Centric Shapley Value-Based Explanation Method for Graph Neural Networks
  ☆26Updated last year
• cieplinski-tobiasz / smina-docking-benchmark
  ☆70Updated 2 years ago
• yvquanli / TrimNet
  Code for paper "TrimNet: learning molecular representation from triplet messages for biomedicine "
  ☆52Updated last year
• simonfqy / PADME
  This is the repository containing the source code for my Master's thesis research, about predicting drug-target interaction using deep le…
  ☆42Updated 5 years ago
• itakigawa / pyg_chemprop
  A concise and easy-to-customize reimplementation of "ChemProp" (Yang et al, 2019) in PyTorch Geometric.
  ☆21Updated 2 years ago
• ml-jku / hyper-dti
  HyperPCM: Robust task-conditioned modeling of drug-target interactions
  ☆36Updated 5 months ago