Alternatives and similar repositories for IFP-RNN:

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

• jp43 / DockBox
  Python package to facilitate the use of popular docking software
  ☆16Updated last year
• MolecularAI / DockStreamCommunity
  ☆26Updated 2 years ago
• oxpig / DEVELOP
  ☆56Updated last year
• gaoqiweng / PROTAC-Model
  Integrative modeling of PROTAC-mediated ternary complex
  ☆24Updated 2 years ago
• yydiao1025 / MacFrag
  ☆24Updated 2 years ago
• jRicciL / ML-ensemble-docking
  Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning
  ☆23Updated 2 years ago
• pfizer-opensource / transform-molecules
  ☆16Updated 2 years ago
• deep-scaffold / deep_scaffold
  ☆25Updated 5 years ago
• grisoniFr / scaffold_hopping_whales
  Code to perform scaffold hopping and virtual screening using WHALES descriptors.
  ☆31Updated 4 years ago
• oxpig / MolSnapper
  ☆23Updated 4 months ago
• micahwang / RELATION
  ☆15Updated 2 years ago
• prokia / deepHops
  source code for deppHop
  ☆35Updated 2 years ago
• MolecularAI / Lib-INVENT-dataset
  ☆19Updated 2 years ago
• rochoa85 / dockECR
  dockECR: open consensus docking and ranking protocol for virtual screening of small molecules
  ☆25Updated 3 years ago
• kimeguida / POEM
  Pocket-Oriented Elaboration of Molecules: application to CDK8 inhibition
  ☆14Updated 2 years ago
• IFMlab / ChemFlow
  Computational Chemistry Workflows
  ☆54Updated 2 years ago
• oxpig / DeepCoy
  ☆33Updated last year
• giovanni-bolcato / deepFMPOv3D
  Implementation of Shape and Electrostatic similarity metric in deepFMPO.
  ☆43Updated 3 years ago
• tiantz17 / MolSHAP
  Source code for paper "MolSHAP: Interpreting Structure-Activity Relationships for Compound Optimization"
  ☆24Updated last year
• PNNL-CompBio / 3D_Scaffold
  ☆25Updated 3 years ago
• meddwl / psearch
  3D ligand-based pharmacophore modeling
  ☆48Updated last year
• MolecularAI / Lib-INVENT
  ☆56Updated 2 years ago
• Brian-hongyan / 3D-MCTS
  3D-MCTS: A general structure-based molecule generation method with MCTS.
  ☆41Updated 9 months ago
• j9650 / MedusaGraph
  ☆28Updated 2 years ago
• issararab / CToxPred
  Comprehensive cardiotoxicity prediction tool of small molecules on three targets: hERG, Nav1.5, Cav1.2
  ☆19Updated 6 months ago
• kotori-y / pySmash
  Smash molecule and obtain significant fragments
  ☆17Updated 3 years ago
• fimrie / DeepCoy
  ☆27Updated last year
• mathcom / COMA
  COMA: Efficient Structure-constrained Molecular Generation using Contractive and Margin losses
  ☆18Updated last year
• molinfo-vienna / apo2ph4
  A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening
  ☆24Updated this week
• Vfold-RNA / RLDOCK
  ☆31Updated 11 months ago