samgoldman97 / enz-pred
☆16Updated 2 years ago
Related projects ⓘ
Alternatives and complementary repositories for enz-pred
- Enzyme datasets used to benchmark enzyme-substrate promiscuity models☆29Updated 3 years ago
- Python package to atom map, correct and suggest enzymatic reactions☆35Updated 7 months ago
- ☆24Updated last year
- NodeCoder is a general framework based on graph convolutional neural network for protein function prediction.☆31Updated 6 months ago
- ☆45Updated last month
- 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
- Structure-based self-supervised learning enables ultrafast prediction of stability changes upon mutations☆25Updated 2 months ago
- ML-optimized library design with improved fitness and diversity for protein engineering☆23Updated 3 months ago
- Deep learning framework for protein sequence design from a backbone scaffold that can leverage the molecular context including non-protei…☆34Updated 4 months ago
- An open-source library for the analysis of protein interactions.☆29Updated 2 years ago
- Bioinformatics and Cheminformatics protocols for peptide analysis☆36Updated last year
- CARE: a Benchmark Suite for the Classification and Retrieval of Enzymes☆24Updated 3 weeks ago
- A set of python tools to deal with PDB chemical components definitions for small molecules, taken from the wwPDB Chemical Component Dicti…☆46Updated 3 weeks ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆24Updated last month
- Docking Tool Benchmarking Workflow☆20Updated 4 months ago
- Quantitative Estimate Index for Early-Stage Screening of Compounds Targeting Protein-Protein Interactions☆18Updated 11 months ago
- ☆48Updated 9 months ago
- A bundle of deep-learning packages for biomolecular structure prediction and design contributed to the Rosetta Commons☆32Updated 2 years ago
- ☆24Updated 3 months ago
- Structure-Informed Protein Language Model☆26Updated 9 months ago
- ☆20Updated last year
- ☆31Updated 7 months ago
- A Memetic Algorithm boosts accuracy and speed of all-atom protein-protein docking☆24Updated 7 months ago
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆27Updated 7 months ago
- ☆18Updated 6 months ago
- a fast and accurate physical energy function extended from EvoEF for protein sequence design☆25Updated last year
- scripts to find PBD structures for cancer driver proteins☆29Updated 8 months ago
- ☆38Updated 2 months ago
- Converts AlphaFold distograms into distance matrices and saves them into a number of formats☆11Updated last year
- ☆11Updated 5 months ago