thejonaslab / vonmises-icml-2023

Related projects ⓘ

Alternatives and complementary repositories for vonmises-icml-2023

• bjing2016 / scalar-fields
  Equivariant Scalar Fields for Molecular Docking with Fast Fourier Transforms
  ☆26Updated 11 months ago
• zaixizhang / MolCode
  Chemical Science 2023: An equivariant generative framework for molecular graph-structure Co-design
  ☆8Updated last year
• HySonLab / Ligand_Generation
  Target-aware Variational Auto-encoders for Ligand Generation with Multimodal Protein Representation Learning
  ☆26Updated 6 months ago
• SigmaGenX / TamGen
  ☆18Updated this week
• karma211225 / KarmaLoop
  Highly accurate and efficient deep learning paradigm for full-atom protein loop modeling with KarmaLoop
  ☆10Updated 5 months ago
• aivant / ShapeLinker
  ☆22Updated 5 months ago
• Profluent-Internships / MMDiff
  Joint Sequence-Structure Generation of Nucleic Acid and Protein Complexes with SE(3)-Discrete Diffusion
  ☆51Updated 6 months ago
• LPDI-EPFL / masif-neosurf
  MaSIF-neosurf: surface-based protein design for ternary complexes.
  ☆25Updated last week
• Minys233 / Dynaformer
  ☆29Updated 4 months ago
• meyresearch / SILVR
  ☆33Updated 6 months ago
• drewnutt / open_combind
  Open-source docking pipeline leveraging pairwise statistics
  ☆10Updated 3 months ago
• iamysk / AFsample2
  Modelling protein conformational landscape with Alphafold
  ☆34Updated last month
• keiserlab / autofragdiff
  ☆23Updated 5 months ago
• MolecularAI / exahustive_search_mol2mol
  ☆11Updated last month
• zaixizhang / FAIR
  NeurIPS 2023 Spotlight paper: Full atom protein pocket design via iterative refinement
  ☆44Updated last year
• THGLab / LP-PDBBind
  ☆31Updated 9 months ago
• zaixizhang / DrugGPS_ICML23
  Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"
  ☆28Updated 9 months ago
• YinanHuang / 3DLinker
  An E(3) Equivariant Variational Autoencoder for Molecular Linker Design
  ☆45Updated 2 years ago
• CMACH508 / KGDiff
  Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance
  ☆28Updated 9 months ago
• ELELAB / PDBminer
  scripts to find PBD structures for cancer driver proteins
  ☆29Updated 8 months ago
• rinikerlab / molecular_time_series
  Code and datasets from the publication https://doi.org/10.1186/s13321-023-00787-9
  ☆19Updated 7 months ago
• MatthewMasters / EDM-Dock
  ☆32Updated last year
• LDeng0205 / confidence-bootstrapping
  Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.
  ☆25Updated 8 months ago
• HaotianZhangAI4Science / SDEGen
  ☆21Updated last year
• lujiarui / esmdiff
  ☆31Updated 3 weeks ago
• juanniwu / t-SMILES
  ☆25Updated this week
• Kuhlman-Lab / PIPPack
  Implementation of Protein Invariant Point Packer (PIPPack)
  ☆30Updated 5 months ago
• zanderharteveld / genesis
  protein backbone refinement
  ☆14Updated 2 months ago
• ZhiGroup / FDA
  Folding-Docking-Affinity framework for protein-ligand affinity prediction
  ☆14Updated 6 months ago
• Shen-Lab / CPAC
  [Bioinformatics 2022] Cross-Modality and Self-Supervised Protein Embedding for Compound-Protein Affinity and Contact Prediction
  ☆12Updated 5 months ago