CataAI / PoseXLinks
PoseX: A Molecular Docking Benchmark
☆41Updated 3 weeks ago
Alternatives and similar repositories for PoseX
Users that are interested in PoseX are comparing it to the libraries listed below
Sorting:
- ☆35Updated 3 weeks ago
- ☆24Updated 8 months ago
- A benchmark for 3D biomolecular structure prediction models☆60Updated last month
- ☆38Updated 9 months ago
- ☆36Updated 3 months ago
- Guiding diffusion models for antibody sequence and structure co-design with developability properties.☆33Updated 7 months ago
- A benchmark dataset for protein-ligand co-folding prediction☆23Updated 4 months ago
- IDPFold test version☆21Updated 9 months ago
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆59Updated 2 months ago
- ☆33Updated last year
- ☆32Updated last year
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆34Updated 8 months ago
- Reaction-Conditioned Virtual Screening of Enzymes☆35Updated 2 weeks ago
- scripts to find PBD structures for cancer driver proteins☆31Updated 4 months ago
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆44Updated 5 months ago
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆53Updated last year
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆25Updated 3 months ago
- Extension of ThermoMPNN for double mutant predictions☆33Updated 3 months ago
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆48Updated 2 weeks ago
- Composing Unbalanced Flows for Flexible Docking and Relaxation (ICLR 2025)☆43Updated last week
- Controlling the usage of hydrophobic residues on AfDesign for binder peptide design with AlphaFold hallucination protocol☆31Updated last year
- ☆32Updated 2 years ago
- ☆28Updated 2 years ago
- ☆37Updated 3 months ago
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆34Updated 2 weeks ago
- ☆17Updated 5 months ago
- Benchmarking code accompanying the release of `bioemu`☆31Updated last week
- Highly accurate and efficient deep learning paradigm for full-atom protein loop modeling with KarmaLoop☆12Updated last year
- Modelling protein conformational landscape with Alphafold☆51Updated 2 weeks ago
- Structure-Informed Protein Language Model☆34Updated last year