jensengroup / fragbuilder
fragbuilder is a tool to create, setup and analyze QM calculations on peptides.
☆14Updated 10 years ago
Alternatives and similar repositories for fragbuilder
Users that are interested in fragbuilder are comparing it to the libraries listed below
Sorting:
- Neural networks for amino acid sequences☆20Updated 7 years ago
- Fast, parallelized implementation of Principal Component Analysis with constant memory consumption for large data sets.☆10Updated 3 years ago
- A web app to convert a PyMOL PSE file or PDB file to a easy to implement NGL.js view that can be implemented easily on any site☆12Updated 3 years ago
- ☆16Updated 6 years ago
- ABC of chemoinformatics☆18Updated 6 years ago
- A novel approach to pose selection in protein-ligand docking based on graph theory.☆21Updated 8 years ago
- Target prediction☆12Updated 5 years ago
- ☆13Updated 5 years ago
- Make valid molecular graphs!☆22Updated last year
- Matrix factorization and deep learning for molecular property prediction☆13Updated 6 years ago
- ☆13Updated 3 years ago
- Code used in the manuscript for De Novo Design of Bioactive Protein Switches☆16Updated 6 years ago
- PCA and normal mode analysis of proteins☆17Updated last year
- PDBe Programming Interfaces information☆14Updated 6 years ago
- Container-based installation of pymol, with interaction through the browser via Jupyter notebook☆20Updated 5 years ago
- A DDG benchmark capture containing the benchmark dataset and benchmarked protocol captures.☆17Updated 9 years ago
- chemmodlab: A Cheminformatics Modeling Laboratory for Fitting and Assessing Machine Learning Models☆17Updated 2 years ago
- A platform to do RNA science☆27Updated 4 years ago
- ☆10Updated last year
- Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm☆24Updated 5 years ago
- AstraZeneca add-ons to Orange.☆21Updated 4 years ago
- Tutorials and examples for nicer animations (movies) and images in PyMOL.☆21Updated 10 years ago
- a protein descriptor for site prediction☆16Updated 5 years ago
- ☆12Updated 2 years ago
- docking visualization with py3dmol and streamlit☆23Updated 4 years ago
- Robust and stable clustering of molecular dynamics simulation trajectories.☆18Updated 2 years ago
- ☆24Updated last year
- RCSB Python Database Utility Classes☆11Updated last month
- Virtual screening and cheminformatics utilities☆14Updated 9 years ago
- Prediction of Protein-Small molecule binding affinities☆16Updated 7 months ago