Alternatives and similar repositories for deep_scaffold:

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

• yydiao1025 / MacFrag
  ☆19Updated last year
• micahwang / RELATION
  ☆15Updated 2 years ago
• MolecularAI / Lib-INVENT-dataset
  ☆18Updated last year
• gaoqiweng / PROTAC-Model
  Integrative modeling of PROTAC-mediated ternary complex
  ☆24Updated 2 years ago
• oxpig / DEVELOP
  ☆56Updated 10 months ago
• grisoniFr / scaffold_hopping_whales
  Code to perform scaffold hopping and virtual screening using WHALES descriptors.
  ☆31Updated 4 years ago
• MolecularAI / DockStreamCommunity
  ☆26Updated last year
• sekijima-lab / mermaid
  ☆12Updated 3 years ago
• cyangNYU / delta_LinF9_XGB
  ☆14Updated 2 years ago
• hnlab / BindingNet
  ☆23Updated 6 months ago
• fimrie / DeepCoy
  ☆24Updated 11 months ago
• zchwang / OnionNet-2
  OnionNet-2 is constructed based on convolutional neural network (CNN) to predict the protein-ligand binding affinity.
  ☆16Updated 10 months ago
• giovanni-bolcato / deepFMPOv3D
  Implementation of Shape and Electrostatic similarity metric in deepFMPO.
  ☆43Updated 3 years ago
• mindrank-ai / PharmaBench
  ☆28Updated 9 months ago
• meddwl / psearch
  3D ligand-based pharmacophore modeling
  ☆48Updated last year
• jacquesboitreaud / OptiMol
  Optimization of binding affinities in chemical space for drug discovery
  ☆36Updated last year
• mahendra-awale / medchem_moves
  ☆44Updated 4 years ago
• docking-org / ChemInfTools
  A collection of small scripts and utilities that would otherwise float around in other repositories
  ☆13Updated 2 years ago
• tblaschke / reinvent-memory
  Code for memory-assisted reinforcement learning
  ☆22Updated 4 years ago
• knu-lcbc / RetroTRAE
  Retrosynthetic prediction with Atom Environments
  ☆36Updated last year
• tiantz17 / MolSHAP
  Source code for paper "MolSHAP: Interpreting Structure-Activity Relationships for Compound Optimization"
  ☆22Updated last year
• mathcom / COMA
  COMA: Efficient Structure-constrained Molecular Generation using Contractive and Margin losses
  ☆18Updated last year
• MolecularAI / Lib-INVENT
  ☆56Updated last year
• biomed-AI / DRlinker
  ☆22Updated 2 years ago
• PNNL-CompBio / 3D_Scaffold
  ☆25Updated 2 years ago
• litfsindt / LIT-SpaceDock
  ☆15Updated 6 months ago
• MolFilterGAN / MolFilterGAN
  ☆14Updated last year
• YuYaoYang2333 / SyntaLinker
  Automatic Fragment Linking with Deep Conditional Transformer Neural Networks
  ☆53Updated 2 years ago
• volkamerlab / kissim_app
  Kinome-wide structural pocket similarity
  ☆10Updated 2 years ago
• ChloeKong / RG-MPNN
  ☆17Updated 2 years ago