Alternatives and similar repositories for minimol

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

• vsomnath / flexdock
  Composing Unbalanced Flows for Flexible Docking and Relaxation (ICLR 2025)
  ☆41Updated 3 weeks ago
• HySonLab / Ligand_Generation
  Target-aware Variational Auto-encoders for Ligand Generation with Multimodal Protein Representation Learning
  ☆30Updated last year
• Genentech / voxmol
  ☆18Updated last year
• drorlab / FRAME
  Fragment-based Molecular Expansion
  ☆20Updated last year
• luost26 / ChemProjector
  Projecting Molecules into Synthesizable Chemical Spaces (ICML 2024)
  ☆42Updated this week
• MarcMoesser / Protein-Ligand-Interaction-Graphs
  ☆40Updated last year
• THGLab / LP-PDBBind
  ☆42Updated last year
• biomed-AI / DiffDec
  ☆34Updated 11 months ago
• SigmaGenX / TamGen
  ☆34Updated this week
• Minys233 / Dynaformer
  ☆31Updated 11 months ago
• Zhang-Runze / PackDock
  PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking
  ☆34Updated 7 months ago
• luoyunan / KDBNet
  Kinase–drug binding prediction with calibrated uncertainty quantification
  ☆23Updated last year
• compsciencelab / mdCATH
  This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user ex…
  ☆42Updated 6 months ago
• coleygroup / shepherd
  Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…
  ☆67Updated this week
• Genentech / Voxbind
  ☆24Updated 11 months ago
• OdinZhang / FragGen
  This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry
  ☆25Updated 2 months ago
• keiserlab / autofragdiff
  Autoregressive fragment-based diffusion for target-aware ligand design
  ☆29Updated last year
• cch1999 / posecheck
  Pose checks for 3D Structure-based Drug Design methods
  ☆81Updated 7 months ago
• CataAI / PoseX
  PoseX: A Molecular Docking Benchmark
  ☆38Updated this week
• SeonghwanSeo / RxnFlow
  Synthesis-oriented GFlowNets on a large action space: "Generative Flows on Synthetic Pathway for Drug Design" (ICLR 2025)
  ☆20Updated 2 months ago
• aivant / ShapeLinker
  ☆23Updated last year
• fengyuewuya / EquiPocket
  ☆26Updated 7 months ago
• IDEA-XL / LigUnity
  Official implementation for paper: A foundation model for protein-ligand affinity prediction through Jointly optimizing virtual screening…
  ☆18Updated last week
• anton-bushuiev / PPIformer
  Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)
  ☆44Updated 4 months ago
• bjing2016 / scalar-fields
  Equivariant Scalar Fields for Molecular Docking with Fast Fourier Transforms
  ☆29Updated last year
• LDeng0205 / confidence-bootstrapping
  Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.
  ☆26Updated last year
• molML / traversing_chem_space
  ☆22Updated 9 months ago
• vsomnath / holoprot
  Multi-Scale Representation Learning on Proteins (NeurIPS 2021)
  ☆46Updated last year
• tiwarylab / af2rave
  Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2
  ☆47Updated 3 weeks ago
• schwallergroup / augmented_memory
  Augmented Memory and Beam Enumeration implementation
  ☆24Updated 11 months ago