aqlaboratory / QuickBindLinks
A Light-Weight And Interpretable Molecular Docking Model
☆24Updated last year
Alternatives and similar repositories for QuickBind
Users that are interested in QuickBind are comparing it to the libraries listed below
Sorting:
- ☆36Updated 2 years ago
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆35Updated last month
- scripts to find PBD structures for cancer driver proteins☆31Updated this week
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆59Updated last month
- ☆52Updated 4 months ago
- Modelling protein conformational landscape with Alphafold☆54Updated 2 months ago
- Binding pocket optimization based on force fields and docking scoring functions☆37Updated 8 months ago
- Structure prediction and design of proteins with noncanonical amino acids☆111Updated this week
- Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]☆30Updated last month
- A variational autoencoder that directly generates the 3D coordinates of immunoglobulin protein backbones.☆30Updated 3 years ago
- Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information☆32Updated 2 weeks ago
- Code for designing binders to flexible peptides with AlphaFold2 Hallucination☆28Updated last year
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆43Updated 5 months ago
- Graph Attention Site Prediction (GrASP): Identifying Druggable Binding Sites Using Graph Neural Networks with Attention☆54Updated 4 months ago
- ☆52Updated 6 months ago
- Scores for Hydrophobicity and Charges based on SASAs☆39Updated 5 months ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated 5 months ago
- Neural Iterative Selection-Expansion using LASErMPNN and Boltz-2x☆28Updated this week
- Code for ApoDock☆21Updated 7 months ago
- Code and notebook for our paper "Assessing interaction recovery of predicted protein-ligand poses"☆19Updated last year
- FeatureDock is a protein-ligand docking software guided by physicochemical feature-based local environment learning using Transformer☆37Updated last year
- ☆40Updated 7 months ago
- Fast and accurate molecular docking with an AI pose scoring function☆42Updated last year
- Fragment-based Molecular Expansion☆25Updated last year
- Novel estimator for the change in stability upon point mutation in monomeric and multimeric proteins.☆57Updated 5 months ago
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆54Updated last year
- Making Protein folding accessible to all!☆24Updated last year
- ☆31Updated 2 months ago
- A benchmark for 3D biomolecular structure prediction models☆67Updated 6 months ago
- Guiding diffusion models for antibody sequence and structure co-design with developability properties.☆33Updated last year