jssweller / DrugHIVELinks
DrugHIVE: Structure-based drug design with a deep hierarchical generative model
☆102Updated 7 months ago
Alternatives and similar repositories for DrugHIVE
Users that are interested in DrugHIVE are comparing it to the libraries listed below
Sorting:
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆123Updated this week
- Multi-domain Distribution Learning for De Novo Drug Design☆87Updated 2 months ago
- ☆107Updated 2 years ago
- Flexible Protein-Protein Docking with a Multi-Track Iterative Transformer.☆94Updated 10 months ago
- A geometric flow matching model for generative protein-ligand docking and affinity prediction. (ISMB 2025)☆91Updated last month
- LABODOCK: A Colab-Based Molecular Docking Tools☆47Updated 4 months ago
- Official repository of EnzymeFlow☆92Updated 5 months ago
- PINDER: The Protein INteraction Dataset and Evaluation Resource☆122Updated 6 months ago
- Official repository for the Deep Docking protocol☆120Updated last year
- Improved antibody structure-based design using inverse folding☆120Updated 3 weeks ago
- Plugin for folding sequences directly in PyMOL☆97Updated 3 months ago
- Protein-ligand structure prediction☆216Updated 10 months ago
- Predict multiple protein conformations using sequence clustering and AlphaFold2.☆156Updated 3 months ago
- ☆65Updated 3 months ago
- Structure prediction of alternative protein conformations☆75Updated 3 months ago
- A model-context-protocol server for molecules.☆74Updated last month
- ☆81Updated 2 months ago
- Recursion's molecular foundation model☆50Updated 8 months ago
- Fast and accurate molecular docking with an AI pose scoring function☆39Updated last year
- RXN for biochemical reactions☆68Updated 2 years ago
- The official implementation of DiffAbXL benchmarked in the paper "Exploring Log-Likelihood Scores for Ranking Antibody Sequence Designs",…☆71Updated this week
- Official implementation of DrugGEN: Target Specific De Novo Design of Drug Candidate Molecules with Graph Transformer-based Generative Ad…☆64Updated 2 months ago
- Official repository for DiffPepBuilder and DiffPepDock tools☆92Updated this week
- Python interface for the RCSB PDB search API.☆63Updated 2 months ago
- ☆94Updated this week
- Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.☆65Updated 2 months ago
- DFMDock (Denoising Force Matching Dock), a diffusion model that unifies sampling and ranking within a single framework.☆44Updated 2 months ago
- Training and prediction scripts for Chemprop models trained on ADMET datasets☆167Updated 8 months ago
- ☆100Updated 2 months ago
- Dataset and package for working with protein-protein interactions in 3D☆91Updated last month