Alternatives and similar repositories for cligen_gen

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

• oxpig / Fragmenstein
  Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse
  ☆13Updated last year
• batistagroup / DirectMultiStep
  DirectMultiStep: Direct Route Generation for Multistep Retrosynthesis
  ☆20Updated 2 months ago
• jkwang93 / ChemistGA
  ☆23Updated 2 years ago
• MorganCThomas / MolScore_examples
  Examples of MolScore implementations
  ☆9Updated last year
• WIMNZhao / AIR
  AI-augmented R-group exploration in medicinal chemistry
  ☆17Updated 9 months ago
• micahwang / RELATION
  ☆17Updated 2 years ago
• MolecularAI / Lib-INVENT-dataset
  ☆20Updated 2 years ago
• litfsindt / LIT-SpaceDock
  ☆16Updated last year
• joewah / PheSAExamples
  ☆11Updated last year
• MolecularAI / DockStreamCommunity
  ☆26Updated 2 years ago
• schwallergroup / augmented_memory
  Augmented Memory and Beam Enumeration implementation
  ☆24Updated last year
• OdinZhang / FragGen
  This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry
  ☆26Updated 3 months ago
• monterosatx / molecular-surface-mining
  Code used to mine surfaces.
  ☆19Updated 4 months ago
• sekijima-lab / DiffInt
  ☆17Updated last month
• Zhang-Runze / PackDock
  PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking
  ☆34Updated 9 months ago
• PNNL-CompBio / 3D_Scaffold
  ☆25Updated 3 years ago
• iipharma / transpharmer-repo
  ☆36Updated 3 months ago
• divnori / Protac-Design
  UROP Project @ Coley Group
  ☆27Updated 2 years ago
• DevSlem / Mol-AIR
  Molecular Reinforcement Learning with Adaptive Intrinsic Reward for Goal-directed Molecular Generation.
  ☆19Updated 4 months ago
• monterosatx / gloop-mining
  Code used in paper for G-loop mining.
  ☆15Updated 4 months ago
• WIMNZhao / TS_Enhanced
  Enhanced Thompson Sampling
  ☆10Updated 3 months ago
• biomed-AI / DRlinker
  ☆25Updated 2 years ago
• ScaffoldSplitsOverestimateVS / ScaffoldSplitsOverestimateVS
  ☆13Updated 5 months ago
• f-rianjongdee / bbSelect
  ☆12Updated last year
• Hwoo-Kim / DeepBioisostere
  Deep Learning-based Bioisosteric Replacements for Optimization of Multiple Molecular Properties
  ☆18Updated 3 weeks ago
• wenhao-gao / synformer
  ☆47Updated 6 months ago
• durrantlab / deepfrag
  DeepFrag is a deep convolutional neural network that guides ligand optimization by extending a ligand with a molecular fragment, such tha…
  ☆25Updated 3 weeks ago
• compsciencelab / PromptSMILES
  Scaffold decoration and fragment linking with chemical language models and RL
  ☆26Updated 3 months ago
• pfizer-opensource / transform-molecules
  ☆17Updated 2 years ago
• molinfo-vienna / apo2ph4
  A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening
  ☆29Updated last month