weng-lab / libzdockLinks
ZDOCK predictions and PDB structures in C++ and Python
☆12Updated last year
Alternatives and similar repositories for libzdock
Users that are interested in libzdock are comparing it to the libraries listed below
Sorting:
- A convolutional neural network model to predict spatial charge map (SCM) score, a molecular dynamics simulation-based model to predict an…☆28Updated 2 years ago
- A structure checker in python☆22Updated 8 months ago
- PyDock Tutorial☆33Updated 7 years ago
- Source code and examples for AlphaFold Unmasked☆73Updated 2 months ago
- An open-source library for the analysis of protein interactions.☆29Updated 3 years ago
- Physical energy function for protein sequence design☆32Updated 2 years ago
- ☆35Updated 3 years ago
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆34Updated 3 weeks ago
- pyPept: a python library to generate atomistic 2D and 3D representations of peptides☆73Updated 11 months ago
- Bioinformatics and Cheminformatics protocols for peptide analysis☆42Updated 2 years ago
- ☆50Updated 3 weeks ago
- Small_molecule_binder_design_use_pseudocycles☆19Updated 8 months ago
- PyPEF – Pythonic Protein Engineering Framework☆24Updated 2 months ago
- A Memetic Algorithm boosts accuracy and speed of all-atom protein-protein docking☆29Updated last month
- Scores for Hydrophobicity and Charges based on SASAs☆34Updated 2 months ago
- A surface-based deep learning approach for the prediction of ligand binding sites on proteins☆44Updated 2 years ago
- Structure-based self-supervised learning enables ultrafast prediction of stability changes upon mutations☆63Updated 3 weeks ago
- A bundle of deep-learning packages for biomolecular structure prediction and design contributed to the Rosetta Commons☆35Updated 2 years ago
- Computer aided proximal decaging as a universal strategy for temporal protein activation☆23Updated 2 months ago
- Efficient manipulation of protein structures in Python☆55Updated 9 months ago
- iScore: an MPI supported software for ranking protein-protein docking models based on a random walk graph kernel and support vector machi…☆31Updated 3 years ago
- DDGScan: an integrated parallel workflow for the in silico point mutation scan of protein☆48Updated last year
- A series of scripts that facilitate the prediction of protein structures in multiple conformations using AlphaFold2☆96Updated last year
- Graphinity: Equivariant Graph Neural Network Architecture for Predicting Change in Antibody-Antigen Binding Affinity☆44Updated last month
- test☆14Updated 4 years ago
- ☆70Updated 4 months ago
- Universal framework for physically based computational protein design☆35Updated last year
- Fast and accurate protein domain segmentation using Invariant Point Attention☆40Updated 2 months ago
- ☆33Updated last year
- ML-optimized library design with improved fitness and diversity for protein engineering☆35Updated last year