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:
- ☆54Updated 2 months ago
- Modelling protein conformational landscape with Alphafold☆54Updated 5 months ago
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆60Updated last week
- ☆37Updated 2 years ago
- Deep generative modeling of protein structural ensembles☆36Updated 4 months ago
- scripts to find PBD structures for cancer driver proteins☆31Updated 2 weeks ago
- ☆54Updated 8 months ago
- Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]☆33Updated last week
- Binding pocket optimization based on force fields and docking scoring functions☆37Updated 10 months ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated 8 months ago
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆55Updated 3 months ago
- Code for ApoDock☆21Updated 10 months ago
- Neural Iterative Selection-Expansion using LigandMPNN/LASErMPNN and Boltz-2x☆29Updated 2 weeks ago
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆46Updated last week
- ☆27Updated 11 months ago
- A Multi-Task Generative model for Structure-Based Drug Design☆58Updated last week
- DFMDock (Denoising Force Matching Dock), a diffusion model that unifies sampling and ranking within a single framework.☆53Updated 6 months ago
- Quick mapping of Uniprot sequences to PDB structures☆36Updated 10 months ago
- Controlling the usage of hydrophobic residues on AfDesign for binder peptide design with AlphaFold hallucination protocol☆33Updated 2 years ago
- Structure prediction and design of proteins with noncanonical amino acids☆117Updated this week
- AI/ML Based QSAR Modeling and Translation to Deployable QSAR WebApps☆20Updated 3 months ago
- A benchmark for 3D biomolecular structure prediction models☆69Updated 8 months ago
- Data sharing for High-throughput Prediction of Changes in Protein Conformational Distributions with Subsampled AlphaFold2☆43Updated last year
- Boltzina: Efficient and Accurate Virtual Screening via Docking-Guided Binding Prediction with Boltz-2☆78Updated 2 months ago
- ☆70Updated last year
- Python package for the analysis of natural and modified peptides using a set of modules to study their sequences☆47Updated 2 months ago
- Scores for Hydrophobicity and Charges based on SASAs☆41Updated 7 months ago
- Code and notebook for our paper "Assessing interaction recovery of predicted protein-ligand poses"☆19Updated last year
- Novel estimator for the change in stability upon point mutation in monomeric and multimeric proteins.☆61Updated 8 months ago
- Updated Protpardelle models with more robust motif scaffolding and multichain support☆64Updated last month