Alternatives and similar repositories for IFP-RNN

Users that are interested in IFP-RNN are comparing it to the libraries listed below

• oxpig / DEVELOP
  ☆56Updated last year
• jRicciL / ML-ensemble-docking
  Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning
  ☆25Updated 3 years ago
• MolecularAI / DockStreamCommunity
  ☆27Updated 2 years ago
• YuYaoYang2333 / SyntaLinker
  Automatic Fragment Linking with Deep Conditional Transformer Neural Networks
  ☆55Updated 3 years ago
• oxpig / MolSnapper
  ☆52Updated 7 months ago
• jp43 / DockBox
  Python package to facilitate the use of popular docking software
  ☆16Updated 2 years ago
• Vfold-RNA / RLDOCK
  ☆33Updated last year
• grisoniFr / scaffold_hopping_whales
  Code to perform scaffold hopping and virtual screening using WHALES descriptors.
  ☆33Updated 4 years ago
• mungpeter / Structure-Based_docking
  Scripts to do docking, single virtual screening, and etc.
  ☆21Updated last year
• gaoqiweng / PROTAC-Model
  Integrative modeling of PROTAC-mediated ternary complex
  ☆28Updated 3 years ago
• MolecularAI / Lib-INVENT-dataset
  ☆22Updated 2 years ago
• pfizer-opensource / transform-molecules
  ☆17Updated 2 years ago
• Brian-hongyan / 3D-MCTS
  3D-MCTS: A general structure-based molecule generation method with MCTS.
  ☆44Updated last year
• oxpig / DeepCoy
  ☆37Updated last year
• deep-scaffold / deep_scaffold
  ☆25Updated 6 years ago
• rochoa85 / dockECR
  dockECR: open consensus docking and ranking protocol for virtual screening of small molecules
  ☆26Updated 4 years ago
• prokia / deepHops
  source code for deppHop
  ☆36Updated 3 years ago
• CSUBioGroup / PGMG
  The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.
  ☆65Updated 2 years ago
• mindrank-ai / PharmaBench
  ☆51Updated last year
• fimrie / DeepCoy
  ☆31Updated last year
• andriusbern / vinaGPU
  Highly parallel molecular docking pipeline using Vina-GPU (dockerized) + AutoDock Vina CPU
  ☆17Updated last year
• issararab / CToxPred
  Comprehensive cardiotoxicity prediction tool of small molecules on three targets: hERG, Nav1.5, Cav1.2
  ☆20Updated last year
• fimrie / DeLinker
  ☆38Updated 4 years ago
• zjujdj / InteractionGraphNet
  InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…
  ☆47Updated 2 years ago
• clinfo / SBMolGen
  ☆42Updated 3 years ago
• molinfo-vienna / apo2ph4
  A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening
  ☆31Updated 6 months ago
• iipharma / transpharmer-repo
  ☆41Updated 8 months ago
• j9650 / MedusaGraph
  ☆28Updated 3 years ago
• tiantz17 / MolSHAP
  Source code for paper "MolSHAP: Interpreting Structure-Activity Relationships for Compound Optimization"
  ☆24Updated 2 years ago
• micahwang / RELATION
  ☆17Updated 3 years ago