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:
- Deep generative modeling of protein structural ensembles☆36Updated 4 months ago
- Modelling protein conformational landscape with Alphafold☆54Updated 5 months ago
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆60Updated last week
- ☆54Updated 2 months ago
- ☆37Updated 2 years ago
- Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]☆33Updated last week
- ☆54Updated 8 months ago
- scripts to find PBD structures for cancer driver proteins☆31Updated 2 weeks ago
- Binding pocket optimization based on force fields and docking scoring functions☆37Updated 10 months ago
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆55Updated 3 months ago
- GatorAffinity: Boosting Protein-Ligand Binding Affinity Prediction with Large-Scale Synthetic Structural Data☆25Updated 2 months ago
- Code for ApoDock☆21Updated 10 months ago
- This is a GitHub Repository containing the data and code used for a thorough comparison of 11 ligand binding site prediction tools☆17Updated last year
- Clustering of SES virtual probes for pocket generation and ranking via Isolation Forest☆14Updated 2 years ago
- Neural Iterative Selection-Expansion using LigandMPNN/LASErMPNN and Boltz-2x☆29Updated 2 weeks ago
- ☆27Updated 11 months ago
- A set of python tools to deal with PDB chemical components definitions for small molecules, taken from the wwPDB Chemical Component Dicti…☆75Updated 3 months ago
- Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information☆32Updated 2 weeks ago
- Code and notebook for our paper "Assessing interaction recovery of predicted protein-ligand poses"☆19Updated last year
- Structure prediction and design of proteins with noncanonical amino acids☆117Updated last week
- ☆13Updated 2 years ago
- Scores for Hydrophobicity and Charges based on SASAs☆41Updated 7 months ago
- InteractionDrawer is a JavaScript library for the drawing of highly interactive 2D ligand interaction diagrams.☆26Updated 2 years ago
- A benchmark dataset for protein-ligand co-folding prediction☆45Updated 5 months ago
- Pocket to Concavity is a tool for refinement of Protein-Ligand binding site shape from alpha-spheres☆16Updated last year
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆46Updated last week
- ☆60Updated 2 weeks ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated 8 months ago
- FeatureDock is a protein-ligand docking software guided by physicochemical feature-based local environment learning using Transformer☆39Updated last year
- ☆22Updated 10 months ago