Alternatives and similar repositories for 3D_Scaffold:

Users that are interested in 3D_Scaffold are comparing it to the libraries listed below

• MolecularAI / DockStreamCommunity
  ☆26Updated last year
• MolecularAI / Lib-INVENT-dataset
  ☆19Updated last year
• micahwang / RELATION
  ☆15Updated 2 years ago
• larngroup / DiverseDRL
  ☆12Updated 4 years ago
• tiantz17 / MolSHAP
  Source code for paper "MolSHAP: Interpreting Structure-Activity Relationships for Compound Optimization"
  ☆23Updated last year
• litfsindt / LIT-SpaceDock
  ☆15Updated 7 months ago
• tblaschke / reinvent-memory
  Code for memory-assisted reinforcement learning
  ☆22Updated 4 years ago
• zchwang / OnionNet-2
  OnionNet-2 is constructed based on convolutional neural network (CNN) to predict the protein-ligand binding affinity.
  ☆16Updated 11 months ago
• meddwl / psearch
  3D ligand-based pharmacophore modeling
  ☆48Updated last year
• keisuke-yanagisawa / exprorer
  EXPRORER: Rational cosolvents set construction method for cosolvent molecular dynamics (CMD) with large-scale computation
  ☆11Updated 2 years ago
• pfnet-research / RJT-RL
  RJT-RL: De novo molecular design using a Reversible Junction Tree and Reinforcement Learning
  ☆23Updated 2 years ago
• schwallergroup / augmented_memory
  Augmented Memory and Beam Enumeration implementation
  ☆23Updated 8 months ago
• mathcom / COMA
  COMA: Efficient Structure-constrained Molecular Generation using Contractive and Margin losses
  ☆18Updated last year
• sekijima-lab / mermaid
  ☆12Updated 3 years ago
• YanjunLi-CS / dyscore
  Open source code for DyScore
  ☆20Updated 2 years ago
• ci-lab-cz / crem-dock
  CReM-dock: generation of chemically reasonable molecules guided by molecular docking
  ☆20Updated last month
• MolecularAI / Lib-INVENT
  ☆56Updated last year
• yydiao1025 / MacFrag
  ☆20Updated last year
• wsjeon92 / morld
  ☆26Updated last year
• sekijima-lab / DiffInt
  ☆16Updated 6 months ago
• mindrank-ai / PharmaBench
  ☆29Updated 10 months ago
• oxpig / DEVELOP
  ☆56Updated 11 months ago
• mahendra-awale / medchem_moves
  ☆44Updated 4 years ago
• Vfold-RNA / RLDOCK
  ☆31Updated 10 months ago
• MarkusFerdinandDablander / QSAR-activity-cliff-experiments
  Exploring QSAR Models for Activity-Cliff Prediction
  ☆18Updated 9 months ago
• compsciencelab / PromptSMILES
  Scaffold decoration and fragment linking with chemical language models and RL
  ☆24Updated 9 months ago
• giovanni-bolcato / deepFMPOv3D
  Implementation of Shape and Electrostatic similarity metric in deepFMPO.
  ☆43Updated 3 years ago
• ChloeKong / RG-MPNN
  ☆17Updated 2 years ago
• Albert-Lau-Lab / tactics_protein_analysis
  ☆17Updated last year
• forlilab / waterkit
  Tool to predict water molecules placement and energy in ligand binding sites
  ☆28Updated this week