compbiomed-unito / acdc-nnLinks
☆21Updated 2 years ago
Alternatives and similar repositories for acdc-nn
Users that are interested in acdc-nn are comparing it to the libraries listed below
Sorting:
- Automated construction of protein chimeras and their analysis.☆15Updated last year
- Code for ApoDock☆20Updated 5 months ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated 3 months ago
- ☆21Updated last year
- Scores for Hydrophobicity and Charges based on SASAs☆36Updated 3 months ago
- Improving protein–ligand docking and screening accuracies by incorporating a scoring function correction term☆28Updated 9 months ago
- PyPEF – Pythonic Protein Engineering Framework☆24Updated this week
- Docking Tool Benchmarking Workflow☆24Updated last year
- Physical energy function for protein sequence design☆33Updated 2 years ago
- ☆26Updated last month
- Controlling the usage of hydrophobic residues on AfDesign for binder peptide design with AlphaFold hallucination protocol☆32Updated 2 years ago
- ☆34Updated 2 years ago
- Some Rosetta Scripts that allow for various simple tasks☆14Updated 5 years ago
- This repository provides with custom code and analysis scripts to generate structural ensembles of intrinsically disordered proteins by u…☆19Updated 9 months ago
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆34Updated 2 months ago
- Quantitative Estimate Index for Early-Stage Screening of Compounds Targeting Protein-Protein Interactions☆18Updated last year
- Demos of many Rosetta applications☆18Updated 3 months ago
- This is the public repository for the RING PyMOL plugin developed by the BioComputing UP laboratory at the University of Padua☆27Updated this week
- De novo molecular design with deep molecular generative models for protein-protein interaction(PPI) inhibitors☆20Updated 10 months ago
- Interface-aware molecular generative framework for protein-protein interaction modulators☆15Updated 8 months ago
- Fraction of Common Contacts Clustering Algorithm for Protein Structures☆27Updated 4 years ago
- scripts to find PBD structures for cancer driver proteins☆31Updated 7 months ago
- NuFold: End-to-End Approach for RNA Tertiary Structure Prediction with Flexible Nucleobase Center Representation☆46Updated 2 months ago
- Scripts used for Mulligan et al. (2020): Computationally-designed peptide macrocycle inhibitors of New Delhi metallo-beta-lactamase 1☆19Updated 4 years ago
- A Memetic Algorithm boosts accuracy and speed of all-atom protein-protein docking☆29Updated 2 months ago
- A surface-based deep learning approach for the prediction of ligand binding sites on proteins☆44Updated 2 years ago
- A bundle of deep-learning packages for biomolecular structure prediction and design contributed to the Rosetta Commons☆36Updated 2 years ago
- Extract the PAE & pLDDT value of Alphafold2 from .pkl to .png, .csv & .pdb file.☆22Updated 3 years ago
- Code and data used in https://doi.org/10.1101/2021.08.01.454656☆53Updated 3 years ago
- Analysis of contacts in molecular dynamics trajectories☆43Updated 5 years ago