Cardypro / StructureAnalyzer
A program analyzing 3D protein structures from PDB to generate 2D binding motifs
☆15Updated 3 years ago
Related projects ⓘ
Alternatives and complementary repositories for StructureAnalyzer
- Some notes (cookbook) for pyMol. Protein Crystallography course.☆15Updated 3 years ago
- Some scripts that I keep using over and over.☆18Updated 8 months ago
- ☆27Updated 6 months ago
- A Memetic Algorithm boosts accuracy and speed of all-atom protein-protein docking☆24Updated 7 months ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆24Updated last month
- NodeCoder is a general framework based on graph convolutional neural network for protein function prediction.☆31Updated 6 months ago
- ☆11Updated 5 months ago
- This is the public repository for the RING PyMOL plugin developed by the BioComputing UP laboratory at the University of Padua☆23Updated 9 months ago
- Learning Binding Affinities via Fine-tuning of Protein and Ligand Language Models☆16Updated 3 weeks ago
- scripts to find PBD structures for cancer driver proteins☆29Updated 8 months ago
- Pocket to Concavity is a tool for refinement of Protein-Ligand binding site shape from alpha-spheres☆12Updated last month
- A unified and modular interface to homology modelling software☆11Updated last year
- Houses deployable code for the SCORCH scoring function and docking pipeline from the related publication: https://doi.org/10.1016/j.jare.…☆16Updated last year
- Repo for the publication titled: "Key Interaction Networks: Identifying Evolutionarily Conserved Non-Covalent Interaction Networks Across…☆12Updated last year
- Fast and accurate molecular docking with an AI pose scoring function☆37Updated 9 months ago
- MEGADOCK on Google Colaboratory☆14Updated last year
- Material to run the HADDOCK antibody-antigen modelling protocol☆22Updated 10 months ago
- ☆21Updated 3 years ago
- ☆22Updated 2 weeks ago
- Improving protein–ligand docking and screening accuracies by incorporating a scoring function correction term☆26Updated 6 months ago
- ☆45Updated last month
- Python tool for the discovery of similar 3D structural motifs across protein structures.☆25Updated last year
- Machine learning model for predicting Human Oral Bioavailability☆13Updated 2 years ago
- A bridge between Biotite and OpenMM☆13Updated 6 months ago
- ☆20Updated last year
- Use AutoDock for Ligand-based Virtual Screening☆20Updated 3 months ago
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆27Updated 7 months ago
- Prediction of Protein-Small molecule binding affinities☆14Updated last month
- A Python toolkit to compute molecular features and predict activities and properties of small molecules☆18Updated 2 years ago
- Python package to atom map, correct and suggest enzymatic reactions☆35Updated 7 months ago