Alternatives and similar repositories for exahustive_search_mol2mol

Users that are interested in exahustive_search_mol2mol are comparing it to the libraries listed below

• aivant / ShapeLinker
  ☆24Updated this week
• oxpig / MolSnapper
  ☆52Updated 7 months ago
• biomed-AI / DiffDec
  ☆38Updated last year
• VicFisher / DiffPhore
  Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping
  ☆45Updated 6 months ago
• meyresearch / SILVR
  ☆38Updated last year
• jule-c / flowr
  ☆55Updated last week
• biomed-AI / DRlinker
  ☆26Updated 3 years ago
• schwallergroup / augmented_memory
  Augmented Memory and Beam Enumeration implementation
  ☆25Updated last year
• kimeguida / ProCare
  ProCare: A Point Cloud Registration Approach to Align Protein Cavities
  ☆30Updated 2 years ago
• THGLab / SynLlama
  Code Space of SynLlama
  ☆38Updated 3 weeks ago
• oxpig / DEVELOP
  ☆56Updated last year
• HySonLab / Ligand_Generation
  Target-aware Variational Auto-encoders for Ligand Generation with Multimodal Protein Representation Learning
  ☆31Updated last year
• MorganCThomas / SMILES-RNN
  Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation
  ☆65Updated last month
• MatthewMasters / EDM-Dock
  ☆32Updated 2 years ago
• molML / traversing_chem_space
  Small molecules discovery with different active deep learning strategies. Codebase for the paper: "Traversing chemical space with active …
  ☆28Updated last year
• coleygroup / shepherd
  Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…
  ☆83Updated last week
• juanniwu / t-SMILES
  ☆37Updated 8 months ago
• RekerLab / DeepDelta
  DeepDelta is a pairwise deep learning approach based on Chemprop that processes two molecules simultaneously and learns to predict proper…
  ☆46Updated last year
• nobiastx / diffusion-conformer
  Diffusion-based molecule conformer generation
  ☆45Updated last year
• rdkit / PREFER
  ☆29Updated 2 years ago
• molinfo-vienna / apo2ph4
  A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening
  ☆31Updated 6 months ago
• joewah / PheSAExamples
  ☆12Updated last year
• SeonghwanSeo / DeepDL
  Official github for "Drug-likeness scoring based on unsupervised learning" (Chemical Science)
  ☆24Updated 3 months ago
• gnina / SolTranNet
  Implementation of the SolTranNet tool utilizing the molecular transformer to predict aqueous solubility
  ☆39Updated 4 years ago
• jacquesboitreaud / OptiMol
  Optimization of binding affinities in chemical space for drug discovery
  ☆35Updated 2 years ago
• prokia / deepHops
  source code for deppHop
  ☆36Updated 3 years ago
• hnlab / BindingNet
  ☆25Updated last year
• compsciencelab / PromptSMILES
  Scaffold decoration and fragment linking with chemical language models and RL
  ☆26Updated 8 months ago
• ashipiling / GPT_3DSMILES
  ☆31Updated 3 months ago
• PNNL-CompBio / 3D_Scaffold
  ☆25Updated 3 years ago