LBM-EPFL / CLoNe
Clustering tool for biomolecular structural ensembles and data in general.
☆10Updated 4 years ago
Alternatives and similar repositories for CLoNe:
Users that are interested in CLoNe are comparing it to the libraries listed below
- ☆15Updated 2 years ago
- ☆28Updated 11 months ago
- For the purpose of post progressing of MD carried by gromacs☆21Updated 3 weeks ago
- ☆22Updated last year
- KDS software for Kinase Drug Selectivity☆11Updated last year
- A unified and modular interface to homology modelling software☆10Updated last year
- Generate Ramachandran plots for single PDB structure and as heatmap for MD trajectory☆9Updated 3 years ago
- MEGADOCK on Google Colaboratory☆15Updated last year
- A Motif-Based PPI Searching Pipeline for PPI Mining and Protein Design☆18Updated 2 months ago
- Building and analyzing residue interaction networks with cofactors (includes tutorial).☆17Updated 4 years ago
- Repo for the publication titled: "Key Interaction Networks: Identifying Evolutionarily Conserved Non-Covalent Interaction Networks Across…☆15Updated last year
- Geometry-aware protein binding site predictor☆20Updated 7 months ago
- Fragment binding prediction with ColabFold☆33Updated 3 weeks ago
- Prediction of Protein-Small molecule binding affinities☆16Updated 6 months ago
- ☆15Updated 6 years ago
- Python code to run Supervised Molecular Dynamics (SuMD) simulations☆14Updated 11 months ago
- ☆8Updated 6 years ago
- Pocket to Concavity is a tool for refinement of Protein-Ligand binding site shape from alpha-spheres☆16Updated 6 months ago
- A Memetic Algorithm boosts accuracy and speed of all-atom protein-protein docking☆27Updated last year
- A Python toolkit to compute molecular features and predict activities and properties of small molecules☆19Updated 3 years ago
- Python tool for the discovery of similar 3D structural motifs across protein structures.☆27Updated last year
- Robust and stable clustering of molecular dynamics simulation trajectories.☆18Updated 2 years ago
- ☆18Updated 9 months ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆25Updated 6 months ago
- Python package to atom map, correct and suggest enzymatic reactions☆37Updated last year
- Cloud-based Drug Binding Structure Prediction☆36Updated last month
- development repository for PyInteraph2☆22Updated 3 weeks ago
- Workshops on Computational Biology organized by our lab☆10Updated last year
- Paper for release☆11Updated 3 years ago
- An open-source library for the analysis of protein interactions.☆29Updated 3 years ago