Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information
☆32Jan 22, 2026Updated 2 months ago
Alternatives and similar repositories for arctic3d
Users that are interested in arctic3d are comparing it to the libraries listed below
Sorting:
- development repository for PyInteraph2☆22Mar 26, 2025Updated 11 months ago
- Pocket to Concavity is a tool for refinement of Protein-Ligand binding site shape from alpha-spheres☆16Oct 2, 2024Updated last year
- P2PXML: Deep Geometric Framework to Predict Antibody-Antigen Binding Affinity (Journal of Structural Biology)☆13Feb 24, 2026Updated 3 weeks ago
- scripts to find PBD structures for cancer driver proteins☆31Feb 27, 2026Updated 3 weeks ago
- ☆18Oct 30, 2023Updated 2 years ago
- ☆12Sep 21, 2023Updated 2 years ago
- Building more accurate protein structures from backbone torsion angles☆15Mar 21, 2025Updated last year
- Graph Attention Site Prediction (GrASP): Identifying Druggable Binding Sites Using Graph Neural Networks with Attention☆58Mar 3, 2026Updated 2 weeks ago
- Clusters protein chains based on CA distance difference☆16Updated this week
- Interactive Python notebooks for PDBe API training☆58Feb 11, 2026Updated last month
- Structure prediction of alternative protein conformations☆83Feb 24, 2025Updated last year
- ☆18Jun 13, 2025Updated 9 months ago
- KDS software for Kinase Drug Selectivity☆11Jun 8, 2023Updated 2 years ago
- All in one Structure-Based Virtual Screening workflow based on the concept of consensus docking.☆53Nov 5, 2025Updated 4 months ago
- A Memetic Algorithm boosts accuracy and speed of all-atom protein-protein docking☆29Jul 5, 2025Updated 8 months ago
- Python package for handling ModelCIF mmCIF and BinaryCIF files☆13Feb 12, 2026Updated last month
- Generate Simple Pharmacophore Models with RDKit☆43Mar 10, 2026Updated last week
- Codes and scripts for "An artificial intelligence accelerated virtual screening platform for drug discovery"☆69Dec 16, 2024Updated last year
- Code associated with the paper 'Cracking the blackbox of deep sequence-based protein-protein interaction prediction'☆28Jan 8, 2024Updated 2 years ago
- A protein structure dataset that combines 3D atomic coordinates with biophysical and evolutionary properties for every atom in every "cle…☆39Jul 25, 2024Updated last year
- Cheminformatics tool that extends the decomposition of molecules into Bemis-Murcko frameworks.☆52Mar 10, 2025Updated last year
- ☆11Sep 1, 2023Updated 2 years ago
- Weighted Ensemble Data Analysis and Plotting☆26Dec 11, 2025Updated 3 months ago
- A lightweight pure python package for reading, writing and manipulating mmCIF files distributed by the wwPDB"☆38Oct 30, 2023Updated 2 years ago
- FASTDock: A Pipeline for Allosteric Drug Discovery - example scripts and jupyter notebook☆19Jun 10, 2023Updated 2 years ago
- Modelling protein conformational landscape with Alphafold☆56Aug 29, 2025Updated 6 months ago
- A geometric deep learning method for refining and assessing protein complex structures.☆16Oct 22, 2022Updated 3 years ago
- The BigBind protein-ligand binding dataset (and BayesBind benchmark)☆20Nov 14, 2024Updated last year
- Python tool for the discovery of similar 3D structural motifs across protein structures.☆34Nov 18, 2023Updated 2 years ago
- NodeCoder is a general framework based on graph convolutional neural network for protein function prediction.☆34May 2, 2024Updated last year
- Official repo of the modular BioExcel version of HADDOCK☆227Mar 10, 2026Updated last week
- ☆17Sep 14, 2022Updated 3 years ago
- ☆55Mar 12, 2026Updated last week
- pyKVFinder: Python-C parallel KVFinder☆35Mar 3, 2026Updated 2 weeks ago
- A new python package to visualize molecules in dots hover☆13Feb 15, 2024Updated 2 years ago
- Quantitative Estimate Index for Early-Stage Screening of Compounds Targeting Protein-Protein Interactions☆19Nov 28, 2023Updated 2 years ago
- MOLeculAR structure annoTator☆33Oct 2, 2024Updated last year
- 🧬 Fusion of protein sequence and structural information, using denoising pre-training network for zero-shot protein engineering (eLife 2…☆85May 16, 2025Updated 10 months ago
- fragbuilder is a tool to create, setup and analyze QM calculations on peptides.☆15Oct 31, 2014Updated 11 years ago