Alternatives and similar repositories for vonmises-icml-2023:

Users that are interested in vonmises-icml-2023 are comparing it to the libraries listed below

• bjing2016 / scalar-fields
  Equivariant Scalar Fields for Molecular Docking with Fast Fourier Transforms
  ☆29Updated last year
• microsoft / bioemu-benchmarks
  Benchmarking code accompanying the release of `bioemu`
  ☆21Updated last week
• karma211225 / KarmaLoop
  Highly accurate and efficient deep learning paradigm for full-atom protein loop modeling with KarmaLoop
  ☆11Updated 10 months ago
• HySonLab / Ligand_Generation
  Target-aware Variational Auto-encoders for Ligand Generation with Multimodal Protein Representation Learning
  ☆29Updated 11 months ago
• mjendrusch / salad
  protein structure generation with sparse all-atom denoising models
  ☆30Updated this week
• Minys233 / Dynaformer
  ☆31Updated 9 months ago
• juanniwu / t-SMILES
  ☆34Updated 2 weeks ago
• KrishnaswamyLab / ProtSCAPE
  ☆16Updated 6 months ago
• JocelynSong / NAEPro
  ☆12Updated last year
• VicFisher / DiffPhore
  Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping
  ☆31Updated last month
• keiserlab / autofragdiff
  Autoregressive fragment-based diffusion for target-aware ligand design
  ☆28Updated 11 months ago
• Kuhlman-Lab / PIPPack
  Implementation of Protein Invariant Point Packer (PIPPack)
  ☆32Updated 10 months ago
• coleygroup / shepherd
  Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025]
  ☆62Updated 3 months ago
• Profluent-Internships / MMDiff
  Joint Sequence-Structure Generation of Nucleic Acid and Protein Complexes with SE(3)-Discrete Diffusion
  ☆57Updated 11 months ago
• aivant / ShapeLinker
  ☆23Updated 11 months ago
• LDeng0205 / confidence-bootstrapping
  Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.
  ☆27Updated last year
• YinanHuang / 3DLinker
  An E(3) Equivariant Variational Autoencoder for Molecular Linker Design
  ☆47Updated 2 years 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 3 months ago
• jule-c / flowr
  ☆24Updated this week
• vsomnath / flexdock
  Composing Unbalanced Flows for Flexible Docking and Relaxation (ICLR 2025)
  ☆27Updated this week
• zaixizhang / MolCode
  Chemical Science 2023: An equivariant generative framework for molecular graph-structure Co-design
  ☆8Updated last year
• hits-mli / gafl
  Geometric Algebra Flow Matching (GAFL) for Protein Backbone Generation
  ☆10Updated last month
• luo-group / SPURS
  Protein stability prediction using rewired protein generative models
  ☆20Updated this week
• compsciencelab / mdCATH
  This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user ex…
  ☆40Updated 5 months ago
• MatthewMasters / EDM-Dock
  ☆32Updated 2 years ago
• zaixizhang / FAIR
  NeurIPS 2023 Spotlight paper: Full atom protein pocket design via iterative refinement
  ☆46Updated last year
• biomed-AI / DiffDec
  ☆32Updated 10 months ago
• gregory-kyro / T-ALPHA
  T-ALPHA: a hierarchical transformer-based deep neural network for protein-ligand binding affinity prediction with uncertainty-aware self-…
  ☆21Updated 2 months ago
• ShenLab / SeqDance
  code for SeqDance/ESMDance, biophysics-informed protein language models
  ☆32Updated 3 weeks ago
• iamysk / AFsample2
  Modelling protein conformational landscape with Alphafold
  ☆47Updated last week