guyuehuo / opendockLinks
☆48Updated 7 months ago
Alternatives and similar repositories for opendock
Users that are interested in opendock are comparing it to the libraries listed below
Sorting:
- pyPept: a python library to generate atomistic 2D and 3D representations of peptides☆73Updated 10 months ago
- Repo contains source code of the SurfaceID paper☆23Updated last year
- Bioinformatics and Cheminformatics protocols for peptide analysis☆42Updated 2 years ago
- Automatic gromacs protocol from preparation to production with ligand parametrization through☆70Updated 3 months ago
- Modelling of Large Protein Complexes☆37Updated last year
- A Unified Approach to Protein Engineering☆42Updated last year
- Learning Binding Affinities via Fine-tuning of Protein and Ligand Language Models☆27Updated 7 months ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated last month
- Fully automated high-throughput MD pipeline☆61Updated 3 weeks ago
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆63Updated 3 months ago
- Efficient manipulation of protein structures in Python☆55Updated 8 months ago
- Python package for the analysis of natural and modified peptides using a set of modules to study their sequences☆34Updated 5 months ago
- Modelling protein conformational landscape with Alphafold☆51Updated 2 weeks ago
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆34Updated last year
- Explicit crosslinks in AlphaFold 3☆22Updated 3 months ago
- Scores for Hydrophobicity and Charges based on SASAs☆31Updated last month
- The official codebase of peptidy, a peptide processing tool for machine learning.☆31Updated 2 months ago
- A set of python tools to deal with PDB chemical components definitions for small molecules, taken from the wwPDB Chemical Component Dicti…☆59Updated 4 months ago
- This is the public repository for the RING PyMOL plugin developed by the BioComputing UP laboratory at the University of Padua☆27Updated 5 months ago
- Improved protein complex prediction with AlphaFold-multimer by denoising the MSA profile☆67Updated 10 months ago
- Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information☆30Updated 2 weeks ago
- A Memetic Algorithm boosts accuracy and speed of all-atom protein-protein docking☆28Updated last week
- Analysis of alphafold and colabfold results☆30Updated this week
- Structure prediction of alternative protein conformations☆76Updated 4 months ago
- Fast and accurate protein domain segmentation using Invariant Point Attention☆40Updated last month
- Data sharing for High-throughput Prediction of Changes in Protein Conformational Distributions with Subsampled AlphaFold2☆39Updated last year
- Python interface for the RCSB PDB search API.☆64Updated 3 months ago
- Fast and accurate molecular docking with an AI pose scoring function☆40Updated last year
- PyDock Tutorial☆32Updated 7 years ago
- Molecular Dynamics for Experimentalists☆58Updated this week