Alternatives and similar repositories for Ligand_Generation

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

• vsomnath / flexdock
  Composing Unbalanced Flows for Flexible Docking and Relaxation (ICLR 2025)
  ☆43Updated last week
• tiwarylab / af2rave
  Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2
  ☆48Updated 2 weeks ago
• biomed-AI / DiffDec
  ☆34Updated last year
• oxpig / MolSnapper
  ☆48Updated last month
• Exscientia / plif_validity
  Code and notebook for our paper "Assessing interaction recovery of predicted protein-ligand poses"
  ☆16Updated 8 months ago
• jule-c / flowr
  ☆43Updated 2 weeks ago
• molML / traversing_chem_space
  ☆22Updated 10 months ago
• SigmaGenX / TamGen
  ☆35Updated 3 weeks ago
• schwallergroup / augmented_memory
  Augmented Memory and Beam Enumeration implementation
  ☆24Updated last year
• Zhang-Runze / PackDock
  PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking
  ☆34Updated 8 months ago
• oxpig / AEV-PLIG
  ☆21Updated 4 months ago
• xuhuihuang / featuredock
  FeatureDock is a protein-ligand docking software guided by physicochemical feature-based local environment learning using Transformer
  ☆32Updated 8 months ago
• aivant / ShapeLinker
  ☆23Updated last year
• Genentech / cremp
  CREMP: Conformer-Rotamer Ensembles of Macrocyclic Peptides for Machine Learning
  ☆13Updated 10 months ago
• VicFisher / DiffPhore
  Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping
  ☆34Updated 2 weeks ago
• biomed-AI / DRlinker
  ☆25Updated 2 years ago
• OdinZhang / FragGen
  This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry
  ☆25Updated 3 months ago
• THGLab / SynLlama
  Code Space of SynLlama
  ☆19Updated 2 weeks ago
• ohuelab / ColabDesign-cyclic-binder
  ☆32Updated last year
• coleygroup / shepherd
  Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…
  ☆68Updated 2 weeks ago
• IDEA-XL / LigUnity
  Official implementation for paper: A foundation model for protein-ligand affinity prediction through Jointly optimizing virtual screening…
  ☆19Updated 3 weeks ago
• LDeng0205 / confidence-bootstrapping
  Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.
  ☆26Updated last year
• Honza-R / PL-REX
  Data set of protein-ligand complexes with reliable experimental structures and affinities
  ☆32Updated 4 months ago
• zchwang / IGModel
  This is the first model that can simultaneously predict the RMSD of the ligand docking pose and the binding strength against the target.
  ☆18Updated 5 months ago
• drorlab / FRAME
  Fragment-based Molecular Expansion
  ☆20Updated last year
• microsoft / bioemu-benchmarks
  Benchmarking code accompanying the release of `bioemu`
  ☆31Updated last week
• patrickbryant1 / RareFold
  Structure prediction and design of proteins with noncanonical amino acids
  ☆72Updated 3 weeks ago
• iambic-therapeutics / np-bench
  A benchmark for 3D biomolecular structure prediction models
  ☆60Updated last month
• anton-bushuiev / PPIformer
  Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)
  ☆44Updated 5 months ago
• MolecularAI / maize-contrib
  Contributed and additional nodes for maize
  ☆14Updated 2 months ago