Genentech / VoxbindLinks
☆32Updated last year
Alternatives and similar repositories for Voxbind
Users that are interested in Voxbind are comparing it to the libraries listed below
Sorting:
- ☆32Updated 2 years ago
- Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…☆86Updated last week
- Official implementation of "Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design"☆68Updated last year
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆52Updated last month
- ☆61Updated 6 months ago
- ☆76Updated 3 years ago
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆55Updated 2 years ago
- This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user ex…☆56Updated last month
- Pose checks for 3D Structure-based Drug Design methods☆93Updated last year
- ☆57Updated last year
- Composing Unbalanced Flows for Flexible Docking and Relaxation (ICLR 2025)☆54Updated 7 months ago
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆31Updated 10 months ago
- ☆60Updated 2 years ago
- ☆43Updated 6 months ago
- ☆31Updated 5 months ago
- Integrated physics-based and ligand-based modeling.☆69Updated 3 months ago
- Molecule Optimization via Fragment-based Generative Models☆43Updated 2 years ago
- ☆80Updated last year
- Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation☆67Updated 3 months ago
- ☆39Updated 2 years ago
- ☆34Updated last year
- ☆64Updated 2 years ago
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆55Updated 3 months ago
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆43Updated 2 years ago
- 3D-MCTS: A general structure-based molecule generation method with MCTS.☆45Updated last year
- PoseX: A Molecular Docking Benchmark☆65Updated 6 months ago
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆46Updated last week
- ☆41Updated 10 months ago
- Implementation of DiffDock-Pocket: Diffusion for Pocket-Level Docking with Side Chain Flexibility☆34Updated last year
- Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"☆30Updated last year