Alternatives and similar repositories for morld

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

• oxpig / DEVELOP
  ☆56Updated last year
• YuYaoYang2333 / SyntaLinker
  Automatic Fragment Linking with Deep Conditional Transformer Neural Networks
  ☆55Updated 3 years ago
• PNNL-CompBio / 3D_Scaffold
  ☆25Updated 3 years ago
• biomed-AI / DRlinker
  ☆26Updated 3 years ago
• jkwang93 / ChemistGA
  ☆22Updated 3 years ago
• Brian-hongyan / 3D-MCTS
  3D-MCTS: A general structure-based molecule generation method with MCTS.
  ☆45Updated last year
• MolecularAI / Lib-INVENT
  ☆63Updated 2 years ago
• jaechanglim / GGM
  graph generative model for molecule
  ☆40Updated 6 years ago
• jacquesboitreaud / OptiMol
  Optimization of binding affinities in chemical space for drug discovery
  ☆35Updated 2 years ago
• deep-scaffold / deep_scaffold
  ☆25Updated 6 years ago
• liutairan / eMolFrag
  eMolFrag is a molecular fragmentation tool based on BRICS algorithm written in Python.
  ☆50Updated 5 years ago
• keiradams / SQUID
  Official implementation of "Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design"
  ☆67Updated last year
• maxime-langevin / scaffold-constrained-generation
  ☆41Updated 5 years ago
• qiangbo1222 / Uni-RXN-official
  ☆27Updated last year
• abdulsalam-bande / KDeep
  Implementation of the Kdeep Paper
  ☆21Updated 4 years ago
• zchwang / DeepRMSD-Vina_Optimization
  DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.
  ☆43Updated last year
• SeonghwanSeo / BBAR
  Official Github for "Molecular generative model via retrosynthetically prepared chemical building block assembly" (Advanced Science)
  ☆34Updated 10 months ago
• ziqi92 / Modof
  Molecule Optimization via Fragment-based Generative Models
  ☆43Updated 2 years ago
• micahwang / RELATION
  ☆17Updated 3 years ago
• illidanlab / MolSearch
  Implementation of MolSearch paper
  ☆23Updated 2 years ago
• zchwang / OnionNet-2
  OnionNet-2 is constructed based on convolutional neural network (CNN) to predict the protein-ligand binding affinity.
  ☆23Updated last year
• prokia / deepHops
  source code for deppHop
  ☆36Updated 3 years ago
• YinanHuang / 3DLinker
  An E(3) Equivariant Variational Autoencoder for Molecular Linker Design
  ☆51Updated 3 years ago
• jenniening / deltaVinaXGB
  This is a machine-learning based protein-ligand scoring function.
  ☆53Updated 5 years ago
• undeadpixel / reinvent-scaffold-decorator
  A SMILES-based encoder-decoder architecture for molecular scaffold decoration
  ☆83Updated 5 years ago
• jaechanglim / DTI_PDBbind
  ☆34Updated 3 years ago
• DS3Lab / RosENet
  ☆37Updated 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
• tblaschke / reinvent-memory
  Code for memory-assisted reinforcement learning
  ☆23Updated 5 years ago
• MarcMoesser / Protein-Ligand-Interaction-Graphs
  ☆39Updated 2 years ago