Alternatives and similar repositories for Drug3D-Net

Users that are interested in Drug3D-Net are comparing it to the libraries listed below

• biomed-AI / STAMP-DPI
  ☆31Updated 3 years ago
• Hyunseung-Kim / molGCT
  ☆26Updated last year
• dbkgroup / prop_gen
  A novel hybrid method for generating molecules with desired property scores.
  ☆42Updated 4 years ago
• ninglab / Modof
  The implementation of Modof for Molecule Optimization
  ☆30Updated 2 years ago
• ziqi92 / Modof
  Molecule Optimization via Fragment-based Generative Models
  ☆42Updated 2 years ago
• CSUBioGroup / PGMG
  The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.
  ☆65Updated last year
• pnnl / solubility-prediction-paper
  ☆15Updated 3 years ago
• agave233 / SIGN
  Official implementation of 'Structure-aware Interactive Graph Neural Networks for the Prediction of Protein-Ligand Binding Affinity' (KDD…
  ☆39Updated 3 years ago
• jkwang93 / ChemistGA
  ☆23Updated 3 years ago
• YinanHuang / 3DLinker
  An E(3) Equivariant Variational Autoencoder for Molecular Linker Design
  ☆49Updated 3 years ago
• mhlee216 / MGCVAE
  Code for "MGCVAE: Multi-Objective Inverse Design via Molecular Graph Conditional Variational Autoencoder" (https://doi.org/10.1021/acs.jc…
  ☆34Updated last year
• yvquanli / GLAM
  Code for "An adaptive graph learning method for automated molecular interactions and properties predictions".
  ☆40Updated 2 years ago
• bigchem / retrosynthesis
  Applying deep neural networks for retrosynthesis tasks
  ☆37Updated 5 years ago
• isayevlab / DRACON
  ☆16Updated 2 years ago
• DrugAI / ACNet
  ☆16Updated 3 years ago
• OdinZhang / SDEGen
  ☆24Updated 2 years ago
• DeepGraphLearning / CGCF-ConfGen
  Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)
  ☆22Updated 4 years ago
• oxpig / DEVELOP
  ☆56Updated last year
• anny0316 / GEOM-CVAE
  ☆15Updated 4 years ago
• m-mokaya / RIOP
  ☆17Updated 2 years ago
• MinkaiXu / CGCF-ConfGen
  Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)
  ☆46Updated 4 years ago
• danielflamshep / xyztransformer
  coming soon
  ☆28Updated 2 years ago
• wsjeon92 / morld
  ☆28Updated 2 years ago
• liutairan / eMolFrag
  eMolFrag is a molecular fragmentation tool based on BRICS algorithm written in Python.
  ☆49Updated 5 years ago
• MinkaiXu / ConfVAE-ICML21
  An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)
  ☆51Updated 4 years ago
• Shihang-Wang-58 / DeepSA
  A Deep-learning Driven Predictor of Compound Synthesis Accessibility
  ☆36Updated 5 months ago
• drorlab / combind
  Integrated physics-based and ligand-based modeling.
  ☆66Updated 3 weeks ago
• HelloJocelynLu / EFGs
  A simple molecule fragmentation method.
  ☆38Updated 2 years ago
• HamidHadipour / Deep-clustering-of-small-molecules-at-large-scale-via-variational-autoencoder-embedding-and-K-means
  ☆17Updated last year
• ZiqiaoZhang / FraGAT
  FraGAT: a fragment-oriented multi-scale graph attention model for molecular property prediction
  ☆27Updated 4 years ago