Genentech / VoxbindLinks
☆31Updated last year
Alternatives and similar repositories for Voxbind
Users that are interested in Voxbind are comparing it to the libraries listed below
Sorting:
- Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…☆83Updated last month
- ☆32Updated 2 years ago
- Pose checks for 3D Structure-based Drug Design methods☆92Updated last year
- Official implementation of "Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design"☆67Updated last year
- ☆58Updated 5 months ago
- Composing Unbalanced Flows for Flexible Docking and Relaxation (ICLR 2025)☆54Updated 6 months ago
- ☆79Updated last year
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆54Updated 2 years ago
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆46Updated 2 months ago
- This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user ex…☆53Updated 3 weeks ago
- ☆56Updated last month
- Benchmarking code accompanying the release of `bioemu`☆52Updated last month
- ☆21Updated last year
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆46Updated 6 months ago
- Research repository to the publication: Navigating the Design Space of Equivariant Diffusion-Based Generative Models for De Novo 3D Molec…☆14Updated last year
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆50Updated last month
- Fragment-based Molecular Expansion☆27Updated last year
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆29Updated 9 months ago
- ☆61Updated 2 years ago
- Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation☆65Updated 2 months ago
- ☆71Updated 11 months ago
- PoseX: A Molecular Docking Benchmark☆61Updated 6 months ago
- ☆34Updated last year
- ☆27Updated last year
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆35Updated last year
- Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]☆31Updated this week
- ☆29Updated 2 years ago
- ☆76Updated 3 years ago
- ☆41Updated 9 months ago
- ☆42Updated last year