Genentech / voxmol

Related projects ⓘ

Alternatives and complementary repositories for voxmol

• Genentech / Voxbind
  ☆18Updated 4 months ago
• DeepLearningPS / EcConf
  EC-Conf: An Ultra-fast Diffusion Model for Molecular conformation Generation with Equivariant Consistency
  ☆11Updated 7 months ago
• luost26 / ChemProjector
  Projecting Molecules into Synthesizable Chemical Spaces (ICML 2024)
  ☆28Updated 3 weeks ago
• tsa87 / TacoGFN-SBDD
  [TMLR 24'] TacoGFN: Target Conditioned GFlowNet for Structure-based Drug Design (also Spotlighted in NeurIPS GenBio Workshop 2023)
  ☆8Updated 2 months ago
• tuanle618 / eqgat-diff
  ☆11Updated 7 months ago
• HaotianZhangAI4Science / SDEGen
  ☆21Updated last year
• MatthewMasters / EDM-Dock
  ☆32Updated last year
• cch1999 / posecheck
  Pose checks for 3D Structure-based Drug Design methods
  ☆73Updated 2 weeks ago
• luoyunan / KDBNet
  Kinase–drug binding prediction with calibrated uncertainty quantification
  ☆22Updated 9 months ago
• THGLab / LP-PDBBind
  ☆31Updated 9 months ago
• ACE-KAIST / DeepICL
  Official Github for "3D Molecular Generative Framework for Interaction-guided Drug Design" (Nature Communications)
  ☆47Updated 4 months ago
• schwallergroup / saturn
  Sample-efficient Generative Molecular Design using Memory Manipulation
  ☆25Updated last month
• bytedance / DecompOpt
  ☆8Updated 3 weeks ago
• CMACH508 / KGDiff
  Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance
  ☆28Updated 9 months ago
• mseok / PIGNet2
  ☆15Updated 8 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.
  ☆15Updated 5 months ago
• stonewiseAIDrugDesign / Lingo3DMol
  ☆48Updated 11 months ago
• Zhang-Runze / PackDock
  PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking
  ☆29Updated last month
• adalke / mmpdb
  A package to identify matched molecular pairs and use them to predict property changes.
  ☆24Updated 6 months ago
• micahwang / RELATION
  ☆15Updated 2 years ago
• molecularmodelinglab / bigbind
  The BigBind protein-ligand binding dataset (and BayesBind benchmark)
  ☆17Updated last week
• ziqi92 / Modof
  Molecule Optimization via Fragment-based Generative Models
  ☆39Updated last year
• keiradams / SQUID
  Official implementation of "Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design"
  ☆56Updated 9 months ago
• Xundrug / MolGpKa
  The graph-convolutional neural network for pka prediction
  ☆66Updated 10 months ago
• Academich / reagents
  Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.
  ☆26Updated last month
• Ferg-Lab / DiAMoNDBack
  DiAMoNDBack: Diffusion-denoising Autoregressive Model for Non-Deterministic Backmapping of Cα Protein Traces
  ☆17Updated 8 months ago
• oxpig / DEVELOP
  ☆56Updated 8 months ago
• ecust-hc / ScaffoldGVAE
  ScaffoldGVAE: A Variational Autoencoder Based on Multi-View Graph Neural Networks for Scaffold Generation and Scaffold Hopping of Drug Mo…
  ☆29Updated last year
• zjujdj / InteractionGraphNet
  InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…
  ☆43Updated last year
• tiantz17 / MolSHAP
  Source code for paper "MolSHAP: Interpreting Structure-Activity Relationships for Compound Optimization"
  ☆21Updated last year